SCHEMBL2944712

SCHEMBL2944712

CCCCCCCCCCCCCCCc1cccc(OC(C)C)c1C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.73
PPARG P37231 2/20 0.70
BID P55957 6/20 0.62
MCL1 Q07820 6/20 0.62
BCL2L1 Q07817 5/20 0.62
BAK1 Q16611 5/20 0.62
KAT8 Q9H7Z6 3/20 0.62
SAE1 Q9UBE0 2/20 0.62
EP300 Q09472 2/20 0.62
KAT5 Q92993 2/20 0.62
KAT2A Q92830 1/20 0.62
KAT2B Q92831 1/20 0.62
F7 P08709 3/20 0.54
F3 P13726 3/20 0.54
MMP2 P08253 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 0.54
ALOX15 P16050 1/20 0.54
ECE1 P42892 1/20 0.54
SGMS1 Q86VZ5 1/20 0.54

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
SCHEMBL2945954 0.88 PPARA (0.56) PPARAPPARGBIDMCL1BCL2L1
SCHEMBL489605 0.87 PPARA (0.55) PPARAPPARGBIDMCL1BCL2L1
SCHEMBL2940835 0.85 PPARA (1.00) PPARAPPARGBIDMCL1BCL2L1
SCHEMBL18030237 0.85 PPARA (1.00) PPARAPPARGBIDMCL1BCL2L1
SCHEMBL2942131 0.83 PPARA (0.77) PPARAPPARGBIDMCL1BCL2L1
SCHEMBL2948111 0.82 PPARA (0.75) PPARAPPARGBIDMCL1BCL2L1
SCHEMBL3181471 0.82 PPARA (1.00) PPARAPPARGBIDMCL1BCL2L1
SCHEMBL17669149 0.80 HTT (0.48) PPARAPPARGBIDMCL1BCL2L1
SCHEMBL11327036 0.79 PPARA (0.89) PPARAPPARGBIDMCL1BCL2L1
SCHEMBL27147047 0.78 PPARA (0.85) PPARAPPARGBIDMCL1BCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470108-B1 1,4-DIHYDROPYRIDINE AND PYRIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS VITTAL MALLYA SCIENT RES FOUNDATION (IN) 2016-08-24 EP disclosed
EP-1515723-B1 SUBSTITUTED DIHYDROPYRIMIDONES AND DIHYDROPYRIMIDINETHIONES AS CALCIUM CHANNEL BLOCKERS VITTAL MALLYA SCIENT RES FOUNDATION (IN) 2014-02-12 EP disclosed
EP-1542683-B1 CALCIUM CHANNEL BLOCKERS DIAKRON PHARMACEUTICALS INC (US) 2013-01-09 EP disclosed
CN-1823041-B 1, 4-dihydropyridine and pyridine compounds as calcium channel blockers VITTAL MALLYA SCIENT RES FOUND 2013-01-02 CN disclosed
US-7750047-B2 Modulators (inhibitors/activators) of histone acetyltransferases JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) 2010-07-06 US disclosed
US-20090076155-A1 MODULATORS (INHIBITORS/ACTIVATORS) OF HISTONE ACETYLTRANSFERASES KUNDU TAPAS KUMAR 2009-03-19 US disclosed
US-7332629-B2 Modulators (inhibitors/activators) of histone acetyltransferases JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) 2008-02-19 US disclosed
CN-1823041-A 1, 4-dihydropyridine and pyridine compounds as calcium channel blockers VITTAL MALLYA SCIENT RES FOUND (IN) 2006-08-23 CN disclosed
US-20060167107-A1 Modulators (inhibitors/ activators) of histone acetyltransferases JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) 2006-07-27 US disclosed
EP-1590318-A2 MODULATORS (INHIBITORS/ACTIVATORS) OF HISTONE ACETYLTRANSFERASES Jawaharlal Nehru Centre For Advanced Scientific Research (IN) 2005-11-02 EP disclosed
EP-1542683-A2 CALCIUM CHANNEL BLOCKERS Diakron Pharmaceuticals, Inc. (US) 2005-06-22 EP disclosed
EP-1515723-A2 SUBSTITUTED DIHYDROPYRIMIDONES AND DIHYDROPYRIMIDINETHIONES AS CALCIUM CHANNEL BLOCKERS VITTAL MALLYA SCIENTIFIC RESEARCH FOUNDATION (IN) 2005-03-23 EP disclosed
EP-1470108-A1 1,4-DIHYDROPYRIDINE AND PYRIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS VITTAL MALLYA SCIENTIFIC RESEARCH FOUNDATION (IN) 2004-10-27 EP disclosed
WO-2004053140-A2 MODULATORS (INHIBITORS/ACTIVATORS) OF HISTONE ACETYLTRANSFERASES JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) 2004-06-24 WO disclosed
WO-2004024153-A2 CALCIUM CHANNEL BLOCKERS DIAKRON PHARMACEUTICALS, INC. (US) 2004-03-25 WO disclosed
WO-2003105854-A2 SUBSTITUTED DIHYDROPYRIMIDINES, DIHYDROPYRIMIDONES AND DIHYDROPYRIMIDINETHIONES AS CALCIUM CHANNEL BLOCKERS VITTAL MALLYA SCIENTIFIC RESEARCH FOUNDATION (IN) 2003-12-24 WO disclosed
WO-2003062201-A1 1,4-DIHYDROPYRIDINE AND PYRIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS VITTAL MALLYA SCIENTIFIC RESEARCH FOUNDATION (IN) 2003-07-31 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 (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-20060167107-A1 Modulators (inhibitors/ activators) of histone acetyltransferases EP300, HDAC1, KAT2A PPARA 1402/4885PPARG 1175/4885BID 2395/4885
US-20090076155-A1 MODULATORS (INHIBITORS/ACTIVATORS) OF HISTONE ACETYLTRANSFERASES KAT2A, HDAC5, HAT1 PPARA 164/4885PPARG 161/4885BID 846/4885

“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.