SCHEMBL4280909

SCHEMBL4280909

CC(=O)c1ccc(-c2ccc[c]c2Cl)cc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
PTPN1 P18031 1/20 0.40
PTGS2 P35354 1/20 0.40
MAOB P27338 5/20 0.39
MAOA P21397 4/20 0.39
HNF4A P41235 1/20 0.38
ACMSD Q8TDX5 1/20 0.38
MCL1 Q07820 2/20 0.36
APP P05067 1/20 0.36
HSD17B1 P14061 1/20 0.35
PRKDC P78527 1/20 0.35
CHEK1 O14757 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NSD2 O96028 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL4282490 0.85 MKNK1 (0.47) ALDH1A1HPGDHNF4AACMSDMCL1
SCHEMBL4277490 0.85 PDK2 (0.40) ALDH1A1HNF4AACMSDMCL1APP
SCHEMBL4282096 0.85 MEN1 (0.41) ALDH1A1HPGDHNF4AACMSDMCL1
SCHEMBL4277908 0.85 PDK2 (0.49) KDM4EMAPTCA9
SCHEMBL4276945 0.78 APP (0.40) ALDH1A1CYP3A4HPGDMAPK1MCL1
SCHEMBL4276821 0.78 APP (0.42) ALDH1A1CYP3A4PTGS2APPMEN1
SCHEMBL4280979 0.75 HSD17B1 (0.45) PTGS2ACMSDAPPHSD17B1CA9
SCHEMBL881334 0.75 ALDH1A1 (0.59) ALDH1A1CYP3A4HPGDMAPK1MAOB
SCHEMBL4277811 0.73 PTGES2 (0.39) PTGS2MAOBAPPCA9
SCHEMBL14661019 0.73 CES2 (0.35) ALDH1A1HPGDMAOBMAOAMCL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2397462-A2 Compounds, compositions and methods of treatment for heart failure Cytokinetics, Inc. (US) 2011-12-21 EP disclosed
US-20090176307-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2009-07-09 US disclosed
US-7491826-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-02-17 US disclosed
US-7399866-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2008-07-15 US disclosed
US-20060241110-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2006-10-26 US disclosed
US-20050159416-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2005-07-21 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 (2 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-20060241110-A1 Compounds, compositions, and methods TNNI3, TNNT2, TNNC1 ALDH1A1 4359/4885CYP3A4 4637/4885HPGD 1404/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 ALDH1A1 4381/4885CYP3A4 4703/4885HPGD 1589/4885

“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.