SCHEMBL17031820

SCHEMBL17031820

CC(C)(C)c1ccccc(-c2ccccc2F)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
PKM P14618 1/20 0.37
PTPN1 P18031 2/20 0.37
MAPT P10636 2/20 0.37
PTPRC P08575 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NMUR2 Q9GZQ4 1/20 0.36
HBB P68871 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PLA2G1B P04054 1/20 0.35
NFKB1 P19838 1/20 0.35
CASP3 P42574 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35

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 0.84 ELANE (0.44) ALDH1A1TSHRTDP1NPC1RAB9A
SCHEMBL17031806 0.84 AKR1C3 (0.39) ALDH1A1NPC1RAB9APTPN1MEN1
SCHEMBL19645661 0.80 GABRA1 (0.40) CA2CA9
SCHEMBL18307741 0.78 GABRA1 (0.44) ALDH1A1TSHRTDP1NPC1RAB9A
SCHEMBL17031799 0.77 PTPRC (0.42) ALDH1A1TSHRTDP1NPC1RAB9A
SCHEMBL18308907 0.76 FABP1 (0.40) ALDH1A1TSHRNPC1RAB9APTPN1
SCHEMBL17031790 0.74 MAP2K7 (0.38) ALDH1A1TSHRTDP1NPC1RAB9A
SCHEMBL17031793 0.74 UGCG (0.43) ALDH1A1TSHRTDP1RAB9APTPN1
SCHEMBL179259 0.74 ALDH1A1 (0.50) ALDH1A1TSHRTDP1MAPTCA2
SCHEMBL17033189 0.74 ACHE (0.52) ALDH1A1TSHRNPC1RAB9APTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428094-B2 Amide compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-10-01 US disclosed
US-10301336-B2 Phosphonate compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-05-28 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-20190023729-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2019-01-24 US disclosed
US-10005802-B2 Amide compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2018-06-26 US disclosed
US-20180072762-A1 ALKYNE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-03-15 US disclosed
US-20180030075-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-02-01 US disclosed
US-20180022766-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-01-25 US disclosed
US-20180022767-A1 Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2018-01-25 US disclosed
US-20180022766-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-01-25 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-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-20150239894-A1 Amino 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-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-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 (19 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-20160362433-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, C9, TFPI ALDH1A1 3312/4885TSHR 1898/4885TDP1 3419/4885
US-20150239868-A1 Alkyne Compounds for Treatment of Complement Mediated Disorders CFD, C9, TFPI ALDH1A1 1501/4885TSHR 1336/4885TDP1 2832/4885
US-20150239838-A1 Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, CFH ALDH1A1 2261/4885TSHR 2867/4885TDP1 2789/4885
US-20180072762-A1 ALKYNE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, C9, TFPI ALDH1A1 1501/4885TSHR 1336/4885TDP1 2832/4885
US-20160361329-A1 COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, CFH, TFPI ALDH1A1 3412/4885TSHR 3436/4885TDP1 2972/4885
US-20180030075-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS TFPI, CFD, F3 ALDH1A1 1425/4885TSHR 832/4885TDP1 2773/4885
US-10253053-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of complement mediated disorders TFPI, CFD, F3 ALDH1A1 1886/4885TSHR 846/4885TDP1 3474/4885
US-10005802-B2 Amide compounds for treatment of complement mediated disorders CFD, TFPI, CFH ALDH1A1 3650/4885TSHR 1558/4885TDP1 4105/4885
US-10301336-B2 Phosphonate compounds for treatment of complement mediated disorders CFD, TFPI, C1QBP ALDH1A1 3727/4885TSHR 2182/4885TDP1 2119/4885
US-20150239894-A1 Amino Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C9 ALDH1A1 3450/4885TSHR 1878/4885TDP1 3050/4885
US-20180022766-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS TFPI, CFD, C9 ALDH1A1 2728/4885TSHR 1591/4885TDP1 3262/4885
US-20150239920-A1 Ether Compounds for Treatment of Complement Mediated Disorders TFPI, CFD, C9 ALDH1A1 2728/4885TSHR 1591/4885TDP1 3262/4885
US-10428094-B2 Amide compounds for treatment of complement mediated disorders CFD, TFPI, C9 ALDH1A1 2385/4885TSHR 1131/4885TDP1 3469/4885
US-20150239895-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Complement Mediated Disorders TFPI, CFD, F3 ALDH1A1 1886/4885TSHR 846/4885TDP1 3474/4885
US-20180022767-A1 Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, CFH ALDH1A1 2261/4885TSHR 2867/4885TDP1 2789/4885
US-20150239893-A1 Amide Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C9 ALDH1A1 2385/4885TSHR 1131/4885TDP1 3469/4885
US-20190023729-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS TFPI, CFD, F3 ALDH1A1 1886/4885TSHR 846/4885TDP1 3474/4885
US-20150239921-A1 Phosphonate Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C1QBP ALDH1A1 3727/4885TSHR 2182/4885TDP1 2119/4885
US-20150239919-A1 Carbamate, Ester, and Ketone Compounds for Treatment of Complement Mediated Disorders CFD, C9, CFH ALDH1A1 2381/4885TSHR 1723/4885TDP1 3296/4885

“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.