SCHEMBL490157

SCHEMBL490157

CCCCCCCCCCCCCCCc1cccc(OC)c1C=O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.59
ALOX5 P09917 4/20 0.59
PTGS2 P35354 4/20 0.59
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
ELANE P08246 2/20 0.47
PPARG P37231 1/20 0.47
BCHE P06276 1/20 0.44
SLC2A1 P11166 1/20 0.44
BID P55957 2/20 0.42
BCL2L1 Q07817 2/20 0.42
MCL1 Q07820 2/20 0.42
BAK1 Q16611 2/20 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
SCHEMBL4944819 0.93 PPARA (0.53) PPARAALOX5PTGS2THRATHRB
SCHEMBL4944824 0.93 PPARA (0.53) PPARAALOX5PTGS2THRATHRB
SCHEMBL489067 0.87 PPARA (0.48) PPARAALOX5PTGS2THRATHRB
SCHEMBL22837454 0.85 ALDH1A1 (0.46) PPARAALOX5PTGS2
SCHEMBL489248 0.85 PPARA (0.47) PPARAALOX5PTGS2THRATHRB
SCHEMBL489762 0.84 PPARA (0.46) PPARAALOX5PTGS2THRATHRB
SCHEMBL29196605 0.84 BID (0.47) PPARAALOX5PTGS2THRATHRB
SCHEMBL952392 0.82 ALDH1A1 (0.46) PPARAALOX5PTGS2
SCHEMBL30600442 0.80 LIPG (0.49) PPARAALOX5PTGS2THRATHRB
SCHEMBL7745169 0.80 BID (0.45) PPARATHRATHRBPPARGBID

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1515723-B1 SUBSTITUTED DIHYDROPYRIMIDONES AND DIHYDROPYRIMIDINETHIONES AS CALCIUM CHANNEL BLOCKERS VITTAL MALLYA SCIENT RES FOUNDATION (IN) 2014-02-12 EP disclosed
US-8106062-B1 Calcium channel blockers DIAKRON PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-7687511-B2 Substituted dihydropyrimidines, dihydropyrimidones and dihydropyrimidinethiones as calcium channel blockers PULLELA PHANI KUMAR 2010-03-30 US disclosed
US-20080125449-A1 SUBSTITUTED DIHYDROPYRIMIDINES, DIHYDROPYRIMIDONES AND DIHYDROPYRIMIDINETHIONES AS CALCIUM CHANNEL BLOCKERS PULLELA PHANI KUMAR 2008-05-29 US 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
WO-2004024153-A2 CALCIUM CHANNEL BLOCKERS DIAKRON PHARMACEUTICALS, INC. (US) 2004-03-25 WO disclosed
US-20040058942-A1 Substituted dihydropyrimidines, dihydropyrimidones and dihydropyrimidinethiones as calcuim channel blockers PULLELA PHANI KUMAR (US) 2004-03-25 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

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-20080125449-A1 SUBSTITUTED DIHYDROPYRIMIDINES, DIHYDROPYRIMIDONES AND DIHYDROPYRIMIDINETHIONES AS CALCIUM CHANNEL BLOCKERS ORAI1, RYR2, RYR1 PPARA 3485/4885ALOX5 738/4885PTGS2 480/4885
US-20040058942-A1 Substituted dihydropyrimidines, dihydropyrimidones and dihydropyrimidinethiones as calcuim channel blockers ORAI1, CACNA1B, CACNA1I PPARA 3062/4885ALOX5 826/4885PTGS2 598/4885

“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.