SCHEMBL4425575

SCHEMBL4425575

O=Cc1ccc(-c2ccc(Cl)c(F)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.59
ALDH1A1 P00352 1/20 0.50
HSD17B10 Q99714 1/20 0.45
DRD1 P21728 2/20 0.42
VCAM1 P19320 1/20 0.41
FFAR1 O14842 1/20 0.40
KMO O15229 2/20 0.40
AHR P35869 1/20 0.38
PTGS1 P23219 2/20 0.37
KCNA3 P22001 1/20 0.36
TYR P14679 1/20 0.36
POLB P06746 1/20 0.36
CASP6 P55212 1/20 0.36
PTGS2 P35354 1/20 0.36
ALDH1A3 P47895 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
CYP2A6 P11509 1/20 0.35
ALDH5A1 P51649 1/20 0.35
ABAT P80404 1/20 0.35

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
SCHEMBL2009103 0.85 KIF11 (0.54) KIF11ALDH1A1HSD17B10DRD1KMO
SCHEMBL190947 0.84 ALDH1A1 (0.64) KIF11ALDH1A1HSD17B10VCAM1KCNA3
SCHEMBL3457040 0.82 KIF11 (0.65) KIF11ALDH1A1HSD17B10DRD1PTGS1
SCHEMBL4372478 0.82 ALDH1A1 (0.68) KIF11ALDH1A1HSD17B10DRD1VCAM1
SCHEMBL29993075 0.81 AHR (0.55) ALDH1A1FFAR1KMOAHRPTGS1
SCHEMBL22459322 0.78 KIF11 (0.61) KIF11DRD1PTGS1CYP2A6
SCHEMBL16037967 0.78 KIF11 (0.59) KIF11ALDH1A1HSD17B10DRD1PTGS1
SCHEMBL31067094 0.77 AHR (0.46) FFAR1KMOAHRPTGS1PTGS2
SCHEMBL23604537 0.77 ALDH1A1 (0.50) KIF11ALDH1A1HSD17B10DRD1VCAM1
SCHEMBL905166 0.77 KIF11 (0.59) KIF11ALDH1A1HSD17B10DRD1PTGS1

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
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-1479671-B1 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2009-05-27 EP disclosed
US-6953803-B1 1-[(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)]-2-(4-fluorobenzyl)thio-5-(1-methyl-4-pyrazolylmethyl)pyrimidin-4-one; enzyme inhibitors of lipoprotein associated phospholipase A2 (Lp-PLA2); atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2005-10-11 US disclosed
EP-0475273-B1 Liquid crystal mixture containing halogenated alcenyl compounds MERCK PATENT GMBH (DE) 1999-04-07 EP disclosed
EP-0433836-B1 Halophenyl substituted dioxanes HOFFMANN LA ROCHE (CH) 1996-03-27 EP disclosed
US-5322638-A Halophenyl substituted dioxanes HOFFMANN-LA ROCHE INC. (US) 1994-06-21 US disclosed
US-5292452-A Electrooptical devices; high dielectric anisotropy, low rotation viscosity, short response time HOFFMANN-LA ROCHE INC. (US) 1994-03-08 US disclosed
EP-0475273-A1 Halogenated alcenyl compounds F. HOFFMANN-LA ROCHE AG (CH) 1992-03-18 EP disclosed
EP-0433836-A2 Halophenyl substituted dioxanes F. HOFFMANN-LA ROCHE AG (CH) 1991-06-26 EP 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 (1 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-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof S1PR5, LPAR5, S1PR1 KIF11 3238/4885ALDH1A1 1328/4885HSD17B10 4285/4885

“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.