SCHEMBL2009246

SCHEMBL2009246

CCc1c(O)ccc(C(C)=O)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HSD17B1 P14061 2/20 0.47
HPGD P15428 3/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPK1 P28482 2/20 0.43
CYP3A4 P08684 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NSD2 O96028 1/20 0.43
POLB P06746 1/20 0.43
MCL1 Q07820 1/20 0.43
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL30736074 0.85 CYP1A2 (0.50) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL480388 0.85 CYP1A2 (0.50) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL15255722 0.84 HSD17B1 (0.43) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9874859 0.84 SELL (0.57) ALDH1A1CYP2C9CYP2C19HPGDMAPT
SCHEMBL31336021 0.84 SELL (0.57) ALDH1A1CYP2C9CYP2C19HPGDMAPT
SCHEMBL27711763 0.82 HSP90AB1 (0.56) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10975179 0.82 CYP1A2 (0.48) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9121697 0.80 CYP1A2 (0.47) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7041417 0.80 CYP1A2 (0.47) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9814069 0.79 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964628-B2 Fibrinogen receptor antagonists and their use PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-06-21 US disclosed
US-7858646-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-12-28 US disclosed
US-20100256161-A1 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-10-07 US disclosed
US-7759387-B2 Fibrinogen receptor antagonists and their use PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-07-20 US disclosed
EP-1817300-B1 POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2010-03-17 EP disclosed
US-20080096930-A1 1-(2-hydroxy-3-methyl-4-{4-[4-(1H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-phenyl)-ethanone; 6-(3-((4-acetyl-3-hydroxy-2-propylphenoxy)methyl)phenylthio)isonicotinic acid; 1-(2-hydroxy-4-{3-[4-(2H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-3-trifluoromethyl-phenyl)-ethanone; treatment of migriane ARRAY BIOPHARMA, INC. 2008-04-24 US disclosed
EP-1817300-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2007-08-15 EP disclosed
US-20070021489-A1 Fibrinogen receptor antagonists and their use NICHOLAS PIRAMAL INDIA LIMITED (IN) 2007-01-25 US disclosed
WO-2006057860-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-01 WO disclosed
EP-0434827-A1 QUINOLINYL-BENZOPYRAN DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? RORER INTERNATIONAL (HOLDINGS), INC. (US) 1991-07-03 EP disclosed
WO-1991001123-A2 QUINOLINYL-BENZOPYRAN DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D¿4? RORER INTERNATIONAL (OVERSEAS) INC. (US) 1991-02-07 WO disclosed
US-4977162-A Quinolinyl-chromone derivatives and use for treatment of hypersensitive ailments RORER PHARMACEUTICAL CORPORATION (US) 1990-12-11 US disclosed
US-4782176-A ANTIALLERGY HOFFMANN-LA ROCHE INC. (US) 1988-11-01 US disclosed
US-4507498-A Phenoxycarboxylic acids HOFFMANN-LA ROCHE INC. (US) 1985-03-26 US 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 (3 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-20100256161-A1 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE FGB, F13B, F2 ALDH1A1 2548/4885CYP1A2 742/4885CYP2D6 1127/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 ALDH1A1 2548/4885CYP1A2 742/4885CYP2D6 1127/4885
US-20080096930-A1 1-(2-hydroxy-3-methyl-4-{4-[4-(1H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-phenyl)-ethanone; 6-(3-((4-acetyl-3-hydroxy-2-propylphenoxy)methyl)phenylthio)isonicotinic acid; 1-(2-hydroxy-4-{3-[4-(2H-tetrazol-5-yl)-pyridin-2-yloxy]-benzyloxy}-3-trifluoromethyl-phenyl)-ethanone; treatment of migriane HTR7, UGT2B7, HK1 ALDH1A1 74/4885CYP1A2 183/4885CYP2D6 157/4885

“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.