SCHEMBL17031806

SCHEMBL17031806

CC(C)(C)c1ccccc(-c2ccc(F)cc2F)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
PLA2G1B P04054 1/20 0.38
NFKB1 P19838 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
P2RY1 P47900 1/20 0.37
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18307743 0.87 ELANE (0.44) AKR1C3AKR1C2ALDH1A1NPC1PLA2G1B
SCHEMBL18308907 0.86 FABP1 (0.40) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL17031820 0.84 ALDH1A1 (0.38) AKR1C3AKR1C2ALDH1A1NPC1PLA2G1B
SCHEMBL17031822 0.82 RAB9A (0.34) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL17031801 0.82 BRD4 (0.39) AKR1C3AKR1C2ALDH1A1NPC1RAB9A
SCHEMBL17031804 0.81 AR (0.38) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL21756799 0.80 P2RX7 (0.30) P2RX7
SCHEMBL17033161 0.78 MAPK14 (0.43) ALDH1A1MEN1THRBHPGDKMT2A
SCHEMBL18649200 0.74 RECQL (0.47) AKR1C3AKR1C2P2RY1MEN1HPGD
SCHEMBL20989248 0.72 NFE2L2 (0.48) ALDH1A1NPC1CASP3SENP8SENP7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10689409-B2 Amino compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-06-23 US disclosed
US-10550140-B2 Ether compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-02-04 US disclosed
US-10464956-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-11-05 US disclosed
US-10428094-B2 Amide compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-10-01 US disclosed
US-10428095-B2 Compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-10-01 US disclosed
US-20190185498-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2019-06-20 US disclosed
US-20190144473-A1 AMINO COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2019-05-16 US disclosed
US-10253053-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-04-09 US disclosed
US-20190085005-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2019-03-21 US disclosed
US-20190048033-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2019-02-14 US disclosed
US-20160362433-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-12-15 US disclosed
US-20160361329-A1 COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-12-15 US disclosed
US-20150239894-A1 Amino Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239838-A1 Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239895-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239919-A1 Carbamate, Ester, and Ketone Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239921-A1 Phosphonate Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239893-A1 Amide Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239868-A1 Alkyne Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20150239920-A1 Ether Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (20 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10550140-B2 Ether compounds for treatment of complement mediated disorders TFPI, CFD, C9 AKR1C3 313/4885AKR1C2 1744/4885ALDH1A1 2728/4885
US-20160362433-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, C9, TFPI AKR1C3 108/4885AKR1C2 795/4885ALDH1A1 3312/4885
US-20150239868-A1 Alkyne Compounds for Treatment of Complement Mediated Disorders CFD, C9, TFPI AKR1C3 124/4885AKR1C2 824/4885ALDH1A1 1501/4885
US-10428095-B2 Compounds for treatment of complement mediated disorders CFD, TFPI, CFH AKR1C3 766/4885AKR1C2 1994/4885ALDH1A1 2261/4885
US-20150239838-A1 Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, CFH AKR1C3 766/4885AKR1C2 1994/4885ALDH1A1 2261/4885
US-20190144473-A1 AMINO COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, TFPI, C9 AKR1C3 962/4885AKR1C2 2966/4885ALDH1A1 3450/4885
US-20160361329-A1 COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, CFH, TFPI AKR1C3 257/4885AKR1C2 1024/4885ALDH1A1 3412/4885
US-10464956-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of complement mediated disorders TFPI, CFD, F3 AKR1C3 254/4885AKR1C2 1604/4885ALDH1A1 1886/4885
US-10253053-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of complement mediated disorders TFPI, CFD, F3 AKR1C3 254/4885AKR1C2 1604/4885ALDH1A1 1886/4885
US-20190048033-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS TFPI, CFD, C9 AKR1C3 313/4885AKR1C2 1744/4885ALDH1A1 2728/4885
US-20150239894-A1 Amino Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C9 AKR1C3 962/4885AKR1C2 2966/4885ALDH1A1 3450/4885
US-20150239920-A1 Ether Compounds for Treatment of Complement Mediated Disorders TFPI, CFD, C9 AKR1C3 313/4885AKR1C2 1744/4885ALDH1A1 2728/4885
US-10428094-B2 Amide compounds for treatment of complement mediated disorders CFD, TFPI, C9 AKR1C3 382/4885AKR1C2 1778/4885ALDH1A1 2385/4885
US-20150239895-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Complement Mediated Disorders TFPI, CFD, F3 AKR1C3 254/4885AKR1C2 1604/4885ALDH1A1 1886/4885
US-20150239893-A1 Amide Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C9 AKR1C3 382/4885AKR1C2 1778/4885ALDH1A1 2385/4885
US-20190085005-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, TFPI, C1QBP AKR1C3 1040/4885AKR1C2 3047/4885ALDH1A1 3727/4885
US-10689409-B2 Amino compounds for treatment of complement mediated disorders CFD, TFPI, C9 AKR1C3 962/4885AKR1C2 2966/4885ALDH1A1 3450/4885
US-20150239921-A1 Phosphonate Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C1QBP AKR1C3 1040/4885AKR1C2 3047/4885ALDH1A1 3727/4885
US-20190185498-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS TFPI, CFD, F3 AKR1C3 254/4885AKR1C2 1604/4885ALDH1A1 1886/4885
US-20150239919-A1 Carbamate, Ester, and Ketone Compounds for Treatment of Complement Mediated Disorders CFD, C9, CFH AKR1C3 56/4885AKR1C2 494/4885ALDH1A1 2381/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.