SCHEMBL489605

SCHEMBL489605

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.55
PPARG P37231 2/20 0.53
BID P55957 3/20 0.49
MCL1 Q07820 3/20 0.49
KAT8 Q9H7Z6 3/20 0.49
BCL2L1 Q07817 2/20 0.49
BAK1 Q16611 2/20 0.49
SAE1 Q9UBE0 2/20 0.49
EP300 Q09472 2/20 0.49
KAT5 Q92993 2/20 0.49
KAT2A Q92830 1/20 0.49
KAT2B Q92831 1/20 0.49
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
ALOX5 P09917 1/20 0.45
PTGS2 P35354 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44

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
SCHEMBL2944712 0.87 PPARA (0.73) PPARAPPARGBIDMCL1KAT8
SCHEMBL2945954 0.86 PPARA (0.56) PPARAPPARGBIDMCL1KAT8
SCHEMBL28774512 0.84 BID (0.51) PPARAPPARGBIDMCL1KAT8
SCHEMBL17669149 0.78 HTT (0.48) PPARAPPARGBIDMCL1KAT8
SCHEMBL489261 0.78 KDM4E (0.42) PPARAPPARGKDM4EMAPTALOX15
SCHEMBL20124014 0.76 PPARA (0.77) PPARAPPARGBIDMCL1KAT8
SCHEMBL2945568 0.76 PPARA (0.77) PPARAPPARGBIDMCL1KAT8
SCHEMBL489762 0.75 PPARA (0.46) PPARAPPARGBIDMCL1KAT8
SCHEMBL489764 0.74 PPARA (0.58) PPARAPPARGBIDMCL1KAT8
SCHEMBL28620042 0.74 ALDH1A1 (0.44) PPARAPPARGBIDMCL1KAT8

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 20 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-1542683-B1 CALCIUM CHANNEL BLOCKERS DIAKRON PHARMACEUTICALS INC (US) 2013-01-09 EP disclosed
US-8106062-B1 Calcium channel blockers DIAKRON PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-7750047-B2 Modulators (inhibitors/activators) of histone acetyltransferases JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) 2010-07-06 US disclosed
US-7687511-B2 Substituted dihydropyrimidines, dihydropyrimidones and dihydropyrimidinethiones as calcium channel blockers PULLELA PHANI KUMAR 2010-03-30 US disclosed
US-20090076155-A1 MODULATORS (INHIBITORS/ACTIVATORS) OF HISTONE ACETYLTRANSFERASES KUNDU TAPAS KUMAR 2009-03-19 US disclosed
US-20080125449-A1 SUBSTITUTED DIHYDROPYRIMIDINES, DIHYDROPYRIMIDONES AND DIHYDROPYRIMIDINETHIONES AS CALCIUM CHANNEL BLOCKERS PULLELA PHANI KUMAR 2008-05-29 US disclosed
US-7332629-B2 Modulators (inhibitors/activators) of histone acetyltransferases JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) 2008-02-19 US disclosed
US-7235570-B2 1,4-dihydropyridine and pyridine compounds as calcium channel blockers VITTAL MALLYA SCIENTIFIC RESEARCH (IN) 2007-06-26 US 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
US-20050159455-A1 1,4-dihydropyridine and pyridine compounds as calcium channel blockers VITTAL MALLYA SCIENTIFIC RESEARCH (IN) 2005-07-21 US disclosed
EP-1515723-A2 SUBSTITUTED DIHYDROPYRIMIDONES AND DIHYDROPYRIMIDINETHIONES AS CALCIUM CHANNEL BLOCKERS VITTAL MALLYA SCIENTIFIC RESEARCH FOUNDATION (IN) 2005-03-23 EP disclosed
US-6852742-B2 1,4-dihydropyridine and pyridine compounds as calcium channel blockers VITTAL MALLYA SCIENTIFIC RESEARCH FOUNDATION (IN) 2005-02-08 US 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
US-20040058942-A1 Substituted dihydropyrimidines, dihydropyrimidones and dihydropyrimidinethiones as calcuim channel blockers PULLELA PHANI KUMAR (US) 2004-03-25 US disclosed
US-20040006110-A1 To modulate the activity of calcium channels, therapy of cardiovascular disease or neurological disorders, that are associated with calcium channels Knobbe, Martens, Olson & Bear, LLP 2004-01-08 US 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 (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-20080125449-A1 SUBSTITUTED DIHYDROPYRIMIDINES, DIHYDROPYRIMIDONES AND DIHYDROPYRIMIDINETHIONES AS CALCIUM CHANNEL BLOCKERS ORAI1, RYR2, RYR1 PPARA 3485/4885PPARG 3927/4885BID 868/4885
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
US-20040058942-A1 Substituted dihydropyrimidines, dihydropyrimidones and dihydropyrimidinethiones as calcuim channel blockers ORAI1, CACNA1B, CACNA1I PPARA 3062/4885PPARG 4016/4885BID 771/4885
US-20040006110-A1 To modulate the activity of calcium channels, therapy of cardiovascular disease or neurological disorders, that are associated with calcium channels RYR2, ORAI1, RYR1 PPARA 3043/4885PPARG 3238/4885BID 960/4885
US-20050159455-A1 1,4-dihydropyridine and pyridine compounds as calcium channel blockers RYR1, RYR2, ORAI1 PPARA 3351/4885PPARG 3709/4885BID 1232/4885

“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.