SCHEMBL5411548

SCHEMBL5411548

CC(CO)C(=O)NCc1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
ERCC1 P07992 2/20 0.49
ERCC4 Q92889 2/20 0.49
MME P08473 1/20 0.48
CYP3A4 P08684 2/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 2/20 0.44
TPSAB1 Q15661 2/20 0.43
PLG P00747 1/20 0.43
PRSS1 P07477 1/20 0.43
MTOR P42345 1/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.43
F13A1 P00488 1/20 0.42

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
SCHEMBL13212291 0.86 LMNA (0.53) LMNAMAPTMAPK1ERCC1ERCC4
SCHEMBL5411543 0.86 LMNA (0.49) LMNAMAPTMAPK1ERCC1ERCC4
SCHEMBL12434714 0.84 MME (0.65) MAPTMAPK1MMECYP3A4ALDH1A1
SCHEMBL18887748 0.84 ERCC1 (0.67) LMNAMAPTMAPK1ERCC1ERCC4
SCHEMBL17667847 0.82 ERCC1 (0.51) LMNAMAPTMAPK1ERCC1ERCC4
SCHEMBL4948472 0.82 ERCC1 (0.51) LMNAMAPTMAPK1ERCC1ERCC4
SCHEMBL9200501 0.81 CARM1 (0.56) ERCC1ERCC4TPSAB1PLGPRSS1
SCHEMBL9199910 0.81 CARM1 (0.56) ERCC1ERCC4TPSAB1PLGPRSS1
SCHEMBL14032666 0.79 CYP3A4 (0.77) LMNAMAPTMAPK1CYP3A4ALDH1A1
SCHEMBL12131750 0.75 ERCC1 (0.70) LMNAMAPTMAPK1ERCC1ERCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7176207-B2 Anticoagulants; antithrombotic agents in the treatment and prevention of thrombosis SCHERING AKTIENGESELLSCHAFT (DE) 2007-02-13 US disclosed
US-20060135532-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-22 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
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
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 (4 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-20050065163-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R LMNA 2441/4885MAPT 4857/4885MAPK1 2811/4885
US-20050038037-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R LMNA 2441/4885MAPT 4857/4885MAPK1 2811/4885
US-20030060474-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, TBXA2R, ADORA2B LMNA 2817/4885MAPT 4867/4885MAPK1 2283/4885
US-20060135532-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, ADORA2B, TBXA2R LMNA 2440/4885MAPT 4861/4885MAPK1 2843/4885

“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.