SCHEMBL3456595

SCHEMBL3456595

Cc1ccc(-c2ccc(C=O)cc2)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.50
KIF11 P52732 1/20 0.46
MCL1 Q07820 1/20 0.43
DRD1 P21728 2/20 0.42
BRD4 O60885 1/20 0.42
ALDH1A1 P00352 7/20 0.40
TYR P14679 1/20 0.40
CYP2A13 Q16696 1/20 0.40
HSD17B10 Q99714 1/20 0.39
ALDH5A1 P51649 1/20 0.39
ABAT P80404 1/20 0.39
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A3 P47895 2/20 0.38
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
ALDH3A1 P30838 1/20 0.38
NOTUM Q6P988 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL7213580 0.89 CYP2A6 (0.41) CYP2A6KIF11MCL1DRD1BRD4
SCHEMBL3360913 0.83 CYP2A6 (0.46) CYP2A6KIF11DRD1BRD4ALDH1A1
SCHEMBL5734465 0.82 TRIM24 (0.54) CYP2A6MCL1DRD1BRD4ALDH1A1
SCHEMBL2012322 0.82 KIF11 (0.54) CYP2A6KIF11DRD1BRD4TYR
SCHEMBL11322374 0.82 CYP2A6 (0.45) CYP2A6KIF11DRD1BRD4ALDH1A1
SCHEMBL98097 0.81 CYP2A6 (0.52) CYP2A6ALDH1A1TYRCYP2A13HSD17B10
SCHEMBL29350085 0.81 CYP2A6 (0.52) CYP2A6ALDH1A1TYRCYP2A13HSD17B10
SCHEMBL5390940 0.81 ALDH1A1 (0.52) MCL1ALDH1A1CYP3A4TSHRTDP1
SCHEMBL137448 0.80 MCL1 (0.40) MCL1ALDH1A1CYP3A4TSHRTDP1
SCHEMBL19100600 0.79 CA1 (0.56) CYP2A6KIF11BRD4ALDH5A1ABAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2258688-B1 Pyridinone derivatives for treatment of atherosclerosis SMITHKLINE BEECHAM LTD (GB) 2012-11-21 EP disclosed
EP-2258688-A1 Pyridinone derivatives for treatment of atherosclerosis SmithKline Beecham Limited (GB) 2010-12-08 EP disclosed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
WO-2010093704-A1 AGONISTS AND ANTAGONISTS OF THE S1P5 RECEPTOR, AND METHODS OF USES THEREOF ABBOTT LABORATORIES (US) 2010-08-19 WO disclosed
EP-2066150-B1 Novel red electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC (KR) 2010-05-26 EP disclosed
EP-1244446-B1 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORP (US) 2006-11-02 EP disclosed
US-6858630-B2 Naphthimidazole derivatives and their use as thrombopoietin mimetics SMITHKLINE BEECHAM CORPORATION (US) 2005-02-22 US disclosed
US-20030083361-A1 Naphtho(1,2-d)imidazole derivatives; treating thrombocytopenia SMITHKLINE BEECHAM CORPORATION 2003-05-01 US disclosed
EP-1244446-A4 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORP (US) 2003-01-08 EP disclosed
EP-1244446-A1 THROMBOPOIETIN MIMETICS SmithKline Beecham Corporation (US) 2002-10-02 EP disclosed
WO-2001039773-A1 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2001-06-07 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-20030083361-A1 Naphtho(1,2-d)imidazole derivatives; treating thrombocytopenia MPL, THPO, TPO CYP2A6 4020/4885KIF11 2203/4885MCL1 142/4885
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof S1PR5, LPAR5, S1PR1 CYP2A6 3123/4885KIF11 3238/4885MCL1 2576/4885

“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.