SCHEMBL277112

SCHEMBL277112

[c]1cccc2c1C=CCO2

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
CYP2B6 P20813 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.30
ITGB2 P05107 1/20 0.30
ICAM1 P05362 1/20 0.30
ITGAL P20701 1/20 0.30

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
SCHEMBL4239943 0.81
SCHEMBL3688793 0.77
SCHEMBL3069942 0.69
SCHEMBL15062465 0.68 CA1 (0.36) CA1CA9
SCHEMBL277103 0.68 CA1 (0.32) CA1CA9CYP2B6
SCHEMBL2122929 0.67 CA1 (0.31) CA1CA9
SCHEMBL9208 0.66 CYP2B6 (0.43) CA1CA9CYP2B6ABCG2ITGB2
SCHEMBL2281562 0.66 CYP2B6 (0.43) CA1CA9CYP2B6ABCG2ITGB2
SCHEMBL2289180 0.66 CYP2B6 (0.43) CA1CA9CYP2B6ABCG2ITGB2
SCHEMBL29364609 0.66 CYP2B6 (0.43) CA1CA9CYP2B6ABCG2ITGB2

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 171 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423212-B1 PROCESS FOR PRODUCTION OF 2-AZAADAMANTANE COMPOUND FROM BICYCLOCARBAMATE COMPOUND NISSAN CHEMICAL IND LTD (JP) 2016-06-01 EP claimed
US-7994336-B2 Azetidine compounds as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-09 US claimed
EP-2069332-B1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-03-02 EP claimed
US-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-02 US claimed
EP-2069332-A2 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-06-17 EP claimed
WO-2008020405-A2 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-02-21 WO claimed
EP-0188502-A1 ETHERIFIED 2-HYDROXY-ETHYL-PHOSPHONIC ACID DERIVATIVES AND PLANT GROWTH REGULATING AGENTS CONTAINING SAME AS ACTIVE INGREDIENT. NITROKEMIA IPARTELEPEK (HU) 1986-07-30 EP claimed
WO-1986000904-A1 ETHERIFIED 2-HYDROXY-ETHYL-PHOSPHONIC ACID DERIVATIVES AND PLANT GROWTH REGULATING AGENTS CONTAINING SAME AS ACTIVE INGREDIENT NITROKÉMIA IPARTELEPEK (HU) 1986-02-13 WO claimed
US-11548910-B2 Oligonucleotide production method NISSAN CHEMICAL CORPORATION (JP) 2023-01-10 US disclosed
US-20190169223-A1 OLIGONUCLEOTIDE PRODUCTION METHOD NISSAN CHEMICAL CORPORATION (JP) 2019-06-06 US disclosed
EP-3378869-A1 METHOD FOR PRODUCING OLIGONUCLEOTIDE Nissan Chemical Corporation (JP) 2018-09-26 EP disclosed
US-20180201989-A1 OXIDANT AND USE THEREOF THE UNIVERSITY OF TOKYO (JP) 2018-07-19 US disclosed
US-9751821-B1 Method for production of 3-hydroxypropan-1-one compound, method for production of 2-propen-1-one compound and method for production of isoxazoline compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-09-05 US disclosed
US-20170233321-A1 METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND, METHOD FOR PRODUCTION OF 2-PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZOLINE COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-08-17 US disclosed
US-5840909-A Pyrazole derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-11-24 US disclosed
US-5817828-A HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS; VISION DEFECTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-06 US disclosed
US-5721264-A EXHIBIT ANTAGONISTIC EFFECT AGAINST ANGIOTENSIN II; USEFUL FOR PREVENTION AND REMEDY OF HYPERTENSION, CONGESTIVE HEARTFAILURE, CHRONIC RENAL INSUFFICIENCY, ALDOSTERONISM NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-24 US disclosed
EP-0811629-A1 OPTICALLY ACTIVE BIDENTATE PHOSPHINE LIGAND/PALLADIUM COMPLEX NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-12-10 EP disclosed
EP-0693480-A1 PYRAZOLE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-01-24 EP disclosed
CN-88101155-A The preparation of benzo benzodioxole derivatives and application thereof 1988-09-28 CN 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 (4 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-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R CA1 1625/4885CA9 1934/4885CYP2B6 1573/4885
US-11548910-B2 Oligonucleotide production method RNGTT, OSGEP, PHAX CA1 3993/4885CA9 3025/4885CYP2B6 2287/4885
US-20190169223-A1 OLIGONUCLEOTIDE PRODUCTION METHOD RNGTT, OSGEP, PHAX CA1 3993/4885CA9 3025/4885CYP2B6 2287/4885
US-20170233321-A1 METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND, METHOD FOR PRODUCTION OF 2-PROPEN-1-ONE COMPOUND AND METHOD FOR PRODUCTION OF ISOXAZOLINE COMPOUND ADH1C, ADH1A, CYP2E1 CA1 343/4885CA9 2960/4885CYP2B6 95/4885

“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.