SCHEMBL17031828

SCHEMBL17031828

COc1ccccc1-c1cc(C(C)=O)cc(C(C)(C)C)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.53
ADORA1 P30542 2/20 0.47
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
HPGD P15428 6/20 0.45
NPSR1 Q6W5P4 3/20 0.45
KDM4E B2RXH2 3/20 0.45
LMNA P02545 2/20 0.45
MITF O75030 1/20 0.45
STAT3 P40763 1/20 0.45
HTT P42858 1/20 0.45
HSP90AA1 P07900 2/20 0.44
FYN P06241 1/20 0.43
HSP90AB1 P08238 1/20 0.43
ADORA2A P29274 2/20 0.42
ADORA2B P29275 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
KDM1A O60341 1/20 0.41

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
SCHEMBL20307119 0.88 ADORA3 (0.49) ADORA3ADORA1ALDH1A1KMT2AMAPT
SCHEMBL18307709 0.82 ALDH1A1 (0.43) ADORA1ALDH1A1KMT2AMAPTMEN1
SCHEMBL17033082 0.82 HSP90AA1 (0.57) ADORA3ADORA1ALDH1A1KMT2AMAPT
SCHEMBL17031808 0.81 MEN1 (0.43) ADORA1ALDH1A1KMT2AMAPTMEN1
SCHEMBL17031818 0.81 ADORA2A (0.51) ADORA3ADORA1ALDH1A1KMT2AMAPT
SCHEMBL19240148 0.80 ADORA3 (0.38) ADORA3ADORA1ALDH1A1KMT2AMEN1
SCHEMBL17034447 0.79 ADORA3 (0.53) ADORA3ADORA1ALDH1A1KMT2AMAPT
SCHEMBL19068809 0.79 ADORA3 (0.53) ADORA3ADORA1ALDH1A1KMT2AMAPT
SCHEMBL17031830 0.78 PSD (0.40) ADORA1ALDH1A1KMT2AMAPTMEN1
SCHEMBL13636842 0.73 CA5A (0.44) ALDH1A1KMT2AMAPTMEN1KDM4E

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 56 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-10428095-B2 Compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-10-01 US disclosed
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-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-20190031692-A1 COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2019-01-31 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-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-20150239895-A1 Aryl, Heteroaryl, and Heterocyclic 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-20150239919-A1 Carbamate, Ester, and Ketone 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-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 ADORA3 2288/4885ADORA1 3514/4885ALDH1A1 2728/4885
US-20160362433-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, C9, TFPI ADORA3 3635/4885ADORA1 4280/4885ALDH1A1 3312/4885
US-20150239868-A1 Alkyne Compounds for Treatment of Complement Mediated Disorders CFD, C9, TFPI ADORA3 699/4885ADORA1 1591/4885ALDH1A1 1501/4885
US-10428095-B2 Compounds for treatment of complement mediated disorders CFD, TFPI, CFH ADORA3 2979/4885ADORA1 2007/4885ALDH1A1 2261/4885
US-20150239838-A1 Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, CFH ADORA3 2979/4885ADORA1 2007/4885ALDH1A1 2261/4885
US-20190144473-A1 AMINO COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, TFPI, C9 ADORA3 868/4885ADORA1 1368/4885ALDH1A1 3450/4885
US-20160361329-A1 COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, CFH, TFPI ADORA3 4062/4885ADORA1 3221/4885ALDH1A1 3412/4885
US-10253053-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of complement mediated disorders TFPI, CFD, F3 ADORA3 769/4885ADORA1 1841/4885ALDH1A1 1886/4885
US-20190048033-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS TFPI, CFD, C9 ADORA3 2288/4885ADORA1 3514/4885ALDH1A1 2728/4885
US-10301336-B2 Phosphonate compounds for treatment of complement mediated disorders CFD, TFPI, C1QBP ADORA3 847/4885ADORA1 987/4885ALDH1A1 3727/4885
US-20150239894-A1 Amino Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C9 ADORA3 868/4885ADORA1 1368/4885ALDH1A1 3450/4885
US-20150239920-A1 Ether Compounds for Treatment of Complement Mediated Disorders TFPI, CFD, C9 ADORA3 2288/4885ADORA1 3514/4885ALDH1A1 2728/4885
US-10428094-B2 Amide compounds for treatment of complement mediated disorders CFD, TFPI, C9 ADORA3 1352/4885ADORA1 1968/4885ALDH1A1 2385/4885
US-20150239895-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Complement Mediated Disorders TFPI, CFD, F3 ADORA3 769/4885ADORA1 1841/4885ALDH1A1 1886/4885
US-20150239893-A1 Amide Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C9 ADORA3 1352/4885ADORA1 1968/4885ALDH1A1 2385/4885
US-20190085005-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, TFPI, C1QBP ADORA3 847/4885ADORA1 987/4885ALDH1A1 3727/4885
US-10689409-B2 Amino compounds for treatment of complement mediated disorders CFD, TFPI, C9 ADORA3 868/4885ADORA1 1368/4885ALDH1A1 3450/4885
US-20190031692-A1 COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, TFPI, CFH ADORA3 2979/4885ADORA1 2007/4885ALDH1A1 2261/4885
US-20150239921-A1 Phosphonate Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, C1QBP ADORA3 847/4885ADORA1 987/4885ALDH1A1 3727/4885
US-20150239919-A1 Carbamate, Ester, and Ketone Compounds for Treatment of Complement Mediated Disorders CFD, C9, CFH ADORA3 2286/4885ADORA1 3417/4885ALDH1A1 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.