SCHEMBL910442

SCHEMBL910442

Cc1ccccc1CC[C]=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.54
DAO P14920 3/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
GPR84 Q9NQS5 1/20 0.40
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CTBP2 P56545 1/20 0.38
TSHR P16473 1/20 0.38
ACHE P22303 1/20 0.38
CHRM2 P08172 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
SCHEMBL3246235 0.88 TAAR1 (0.50) TAAR1DAOPTGS1PTGS2GPR84
SCHEMBL910690 0.80 GABRA1 (0.47) GABRA1GABRB2
SCHEMBL910303 0.78 GABRA1 (0.41) DAOGAAHPGDALDH1A1GABRA1
SCHEMBL237082 0.78 TAAR1 (0.54) TAAR1DAOPTGS1PTGS2GPR84
SCHEMBL1612106 0.78 TAAR1 (0.54) TAAR1DAOPTGS1PTGS2GPR84
SCHEMBL31082194 0.78 TAAR1 (0.54) TAAR1DAOPTGS1PTGS2GPR84
SCHEMBL11144187 0.78 TAAR1 (0.54) TAAR1DAOPTGS1PTGS2GPR84
SCHEMBL143962 0.78 TAAR1 (0.71) TAAR1DAOPTGS1PTGS2GPR84
SCHEMBL811980 0.77 TAAR1 (0.52) TAAR1DAOPTGS1PTGS2MEN1
O-Xylene SCHEMBL11164671 0.76 TAAR1 (0.68) TAAR1DAOPTGS1PTGS2GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937090-B2 Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO COMPANY, LTD. (JP) 2015-01-20 US disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin SHISEIDO COMPANY, LTD. (JP) 2012-09-13 US disclosed
US-20120165409-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2012-06-28 US disclosed
US-20110004019-A1 Parakeratosis Inhibitor, Pore-Shrinking Agent, Or Rough Skin Inhibiting/Ameliorating Agent, And External Composition For Skin Containing The Same SHISEIDO COMPANY LTD. (JP) 2011-01-06 US disclosed
EP-2255780-A1 PARAKERATOSIS INHIBITOR, PORE SHRINKING AGENT OR AGENT FOR PREVENTING OR IMPROVING ROUGH SKIN, AND COMPOSITION FOR EXTERNAL USE ON THE SKIN CONTAINING THE SAME Shiseido Company, Ltd. (JP) 2010-12-01 EP disclosed
US-20100035881-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2010-02-11 US disclosed
EP-1941861-A1 WRINKLE-IMPROVING AGENT Shiseido Company, Limited (JP) 2008-07-09 EP disclosed
EP-1880711-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-01-23 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-7071359-B1 Neuropathy improvers containing nitrogenous compounds as the active ingredient TEIJIN LIMITED (JP) 2006-07-04 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
US-20050245399-A1 Pyrazole derivatives as herbicidal compositions containing them ISHIHARA SANGYO KAISHA, LTD. 2005-11-03 US disclosed
EP-1201235-B1 NEUROPATHY IMPROVERS CONTAINING NITROGENOUS COMPOUNDS AS THE ACTIVE INGREDIENT TEIJIN LTD (JP) 2005-10-12 EP disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
EP-1201235-A1 NEUROPATHY IMPROVERS CONTAINING NITROGENOUS COMPOUNDS AS THE ACTIVE INGREDIENT TEIJIN LIMITED (JP) 2002-05-02 EP disclosed
US-4438277-A Hydronaphthalene derivatives SANKYO COMPANY, LIMITED (JP) 1984-03-20 US disclosed
US-4361515-A Antihyperlipemic dihydro-ML-236B derivatives, their preparation and use SANKYO COMPANY, LIMITED (JP) 1982-11-30 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 (6 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-20100035881-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 TAAR1 1466/4885DAO 201/4885PTGS1 1018/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 TAAR1 364/4885DAO 1115/4885PTGS1 3838/4885
US-20050245399-A1 Pyrazole derivatives as herbicidal compositions containing them DDT, CBR3, CYP4X1 TAAR1 3156/4885DAO 202/4885PTGS1 2833/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 TAAR1 3484/4885DAO 1989/4885PTGS1 1842/4885
US-20110004019-A1 Parakeratosis Inhibitor, Pore-Shrinking Agent, Or Rough Skin Inhibiting/Ameliorating Agent, And External Composition For Skin Containing The Same CUTA, GLRA3, ARGLU1 TAAR1 2774/4885DAO 2503/4885PTGS1 2468/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 TAAR1 1535/4885DAO 235/4885PTGS1 880/4885

“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.