SCHEMBL2909301

SCHEMBL2909301

CCN(CC)C(C)Oc1ccc2c(O)cc(C(=O)O)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
MCL1 Q07820 4/20 0.38
IGFBP5 P24593 6/20 0.37
IGFBP3 P17936 2/20 0.37
ALOX15 P16050 1/20 0.36
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4A O75164 1/20 0.34
EGLN1 Q9GZT9 2/20 0.34
CAMKK1 Q8N5S9 1/20 0.33
CAMKK2 Q96RR4 1/20 0.33

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
SCHEMBL2907247 0.88 GRM2 (0.37) THRATHRBKDM4EALDH1A1HPGD
SCHEMBL2908122 0.78 ALOX15 (0.50) THRATHRBMCL1IGFBP5ALOX15
SCHEMBL2909303 0.78 MAOB (0.53) MAPTKMT2ACYP1A2
SCHEMBL2901725 0.78 PDE10A (0.46) THRATHRBMCL1IGFBP5IGFBP3
SCHEMBL9393726 0.77 PGR (0.37) KDM4EALDH1A1HPGDHSD17B10MEN1
Hydrochloric Acid SCHEMBL7533237 0.76 TACR3 (0.37) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL2909583 0.75 PTPN7 (0.48) MCL1IGFBP5IGFBP3ALOX15KDM4E
SCHEMBL2908545 0.74 MCL1 (0.53) THRATHRBMCL1ALOX15KDM4E
SCHEMBL11768828 0.73 USP2 (0.34) THRATHRBALOX15KDM4EALDH1A1
SCHEMBL3328720 0.72 IGFBP5 (0.50) IGFBP5IGFBP3ALOX15ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578423-B1 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS BAYER SCHERING PHARMA AG (DE) 2010-08-18 EP disclosed
US-7176207-B2 Anticoagulants; antithrombotic agents in the treatment and prevention of thrombosis SCHERING AKTIENGESELLSCHAFT (DE) 2007-02-13 US disclosed
US-7084142-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-08-01 US disclosed
US-20060135532-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-22 US disclosed
US-20060122188-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-08 US disclosed
US-7056923-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-06 US disclosed
US-7026323-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-04-11 US disclosed
US-6995156-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-02-07 US disclosed
EP-1578423-A1 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-09-28 EP disclosed
WO-2004052366-A9 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AG (DE) 2005-06-23 WO disclosed
US-20050065163-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-03-24 US disclosed
US-6861424-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-03-01 US disclosed
US-20050038037-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-02-17 US disclosed
US-20040138229-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2004-07-15 US disclosed
WO-2004052366-A1 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-06-24 WO disclosed
EP-1412349-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS Schering Aktiengesellschaft (DE) 2004-04-28 EP disclosed
US-20030060474-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2003-03-27 US disclosed
WO-2002098856-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2002-12-12 WO 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 (6 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-20060122188-A1 Platelet adenosine diphosphate receptor antagonists TBXA2R, P2RY1, ADORA1 THRA 1012/4885THRB 1523/4885MCL1 1860/4885
US-20050065163-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R THRA 813/4885THRB 826/4885MCL1 2253/4885
US-20050038037-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R THRA 813/4885THRB 826/4885MCL1 2253/4885
US-20040138229-A1 Platelet adenosine diphosphate receptor antagonists TBXA2R, ADORA1, P2RY1 THRA 1024/4885THRB 1612/4885MCL1 1454/4885
US-20030060474-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, TBXA2R, ADORA2B THRA 1036/4885THRB 973/4885MCL1 1734/4885
US-20060135532-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, ADORA2B, TBXA2R THRA 669/4885THRB 793/4885MCL1 2270/4885

“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.