SCHEMBL489248

SCHEMBL489248

CCCCCCCCCCCCCCCc1cccc(OCCOC)c1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.47
ALOX5 P09917 1/20 0.46
PTGS2 P35354 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
PPARG P37231 2/20 0.42
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
BCHE P06276 1/20 0.38
BID P55957 3/20 0.38
MCL1 Q07820 3/20 0.38
BCL2L1 Q07817 2/20 0.38
BAK1 Q16611 2/20 0.38
KAT8 Q9H7Z6 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
NR1I2 O75469 1/20 0.38

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
SCHEMBL489067 0.86 PPARA (0.48) PPARAALOX5PTGS2L3MBTL1GAA
SCHEMBL490157 0.85 PPARA (0.59) PPARAALOX5PTGS2THRATHRB
SCHEMBL30471152 0.80 GAA (0.56) L3MBTL1GAATDP1MAPTMEN1
SCHEMBL14841972 0.80 GAA (0.56) L3MBTL1GAATDP1MAPTMEN1
SCHEMBL21625777 0.80 GAA (0.56) L3MBTL1GAATDP1MAPTMEN1
SCHEMBL28051115 0.80 ALDH1A1 (0.52) L3MBTL1GAATDP1MAPTMEN1
SCHEMBL4944819 0.79 PPARA (0.53) PPARAALOX5PTGS2THRATHRB
SCHEMBL28474127 0.79 MGLL (0.51) PPARAL3MBTL1GAATDP1THRA
SCHEMBL4944824 0.79 PPARA (0.53) PPARAALOX5PTGS2THRATHRB
SCHEMBL489762 0.78 PPARA (0.46) PPARAALOX5PTGS2THRATHRB

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 11 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-7235570-B2 1,4-dihydropyridine and pyridine compounds as calcium channel blockers VITTAL MALLYA SCIENTIFIC RESEARCH (IN) 2007-06-26 US 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-1542683-A2 CALCIUM CHANNEL BLOCKERS Diakron Pharmaceuticals, Inc. (US) 2005-06-22 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-2004024153-A2 CALCIUM CHANNEL BLOCKERS DIAKRON PHARMACEUTICALS, INC. (US) 2004-03-25 WO 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-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-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 3043/4885ALOX5 1780/4885PTGS2 509/4885
US-20050159455-A1 1,4-dihydropyridine and pyridine compounds as calcium channel blockers RYR1, RYR2, ORAI1 PPARA 3351/4885ALOX5 2561/4885PTGS2 640/4885

“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.