SCHEMBL606892

SCHEMBL606892

CCc1ccc(CO)cc1CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.43
BACE1 P56817 1/20 0.42
DHFR P00374 1/20 0.42
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CASP6 P55212 1/20 0.39
MAPT P10636 1/20 0.38
TRPA1 O75762 1/20 0.38
CA12 O43570 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA6 P23280 2/20 0.37
CA5A P35218 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CA5B Q9Y2D0 2/20 0.37
CA3 P07451 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL22490117 0.93 EGFR (0.46) EGFRBACE1DHFRCYP4F2CYP4A11
SCHEMBL14922851 0.87 BACE1 (0.42) EGFRBACE1DHFRCYP4F2CYP4A11
SCHEMBL606611 0.84 TRPA1 (0.46) EGFRBACE1DHFRKDM4ECASP6
SCHEMBL606251 0.84 TRPA1 (0.46) EGFRBACE1DHFRKDM4ECASP6
SCHEMBL444673 0.82 TRPA1 (0.48) BACE1DHFRKDM4EMAPTTRPA1
SCHEMBL11967053 0.82 BACE1 (0.40) EGFRBACE1CYP4F2CYP4A11KDM4E
SCHEMBL5373052 0.82 BACE1 (0.63) BACE1KDM4ECASP6MAPTTRPA1
SCHEMBL28137809 0.82 TRPA1 (0.50) EGFRBACE1CYP4F2CYP4A11KDM4E
SCHEMBL8750442 0.82 EGFR (0.41) EGFRBACE1CYP4F2CYP4A11TRPA1
SCHEMBL13634975 0.82 SLC6A2 (0.43) EGFRBACE1DHFRCYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217576-B1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS UNIV MICHIGAN (US) 2016-05-11 EP disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-8759340-B2 Benzodiazepinone compounds useful in the treatment of skin conditions THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-06-24 US disclosed
US-8673897-B2 Benzodiazepinone compounds and methods of treatment using same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-03-18 US disclosed
US-20130274197-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-10-17 US disclosed
US-8461153-B2 Benzodiazepinone compounds useful in the treatment of skin conditions THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-06-11 US disclosed
EP-2520570-A1 AMINOPYRIDINE COMPOUND Ube Industries, Ltd. (JP) 2012-11-07 EP disclosed
US-20120259123-A1 AMINOPYRIDINE COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-10-11 US disclosed
US-20120232067-A1 BENZODIAZEPINONE COMPOUNDS AND METHODS OF TREATMENT USING SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-09-13 US disclosed
EP-2470020-A1 BENZODIAZEPINONE COMPOUNDS AND METHODS OF TREATMENT USING SAME The Regents of the University of Michigan (US) 2012-07-04 EP disclosed
US-20120040971-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-02-16 US disclosed
WO-2011035124-A1 BENZODIAZEPINONE COMPOUNDS AND METHODS OF TREATMENT USING SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-03-24 WO disclosed
CN-101918375-A Benzodiazepinone compounds useful in the treatment of skin conditions UNIV MICHIGAN 2010-12-15 CN disclosed
EP-2217576-A2 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS The Regents of the University of Michigan (US) 2010-08-18 EP disclosed
WO-2009061916-A2 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-14 WO disclosed
US-20090118244-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-07 US disclosed
US-5149884-A Oxidative dehydrogenation of aromatic or aliphatic alcohols in gas phase BASF AKTIENGESELLSCHAFT (DE) 1992-09-22 US disclosed
EP-0244632-B1 TUBE BUNDLE REACTOR, ITS USE IN EXOTHERMAL ORGANIC REACTIONS AND PROCESS FOR THE PREPARATION OF KETONES AND ALDEHYDES BASF Aktiengesellschaft (DE) 1991-02-20 EP disclosed
EP-0244632-A2 Tube bundle reactor, its use in exothermal organic reactions and process for the preparation of ketones and aldehydes BASF Aktiengesellschaft (DE) 1987-11-11 EP disclosed
US-4224254-A OXIDATION OF AROMATIC ALCOHOLS, SILVER CATALYST BASF AKTIENGESELLSCHAFT (DE) 1980-09-23 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 (5 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-20120040971-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS RORC, RORA, RORB EGFR 587/4885BACE1 988/4885DHFR 417/4885
US-20090118244-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS RORC, RORA, RORB EGFR 587/4885BACE1 988/4885DHFR 417/4885
US-20130274197-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS RORC, RORA, RORB EGFR 587/4885BACE1 988/4885DHFR 417/4885
US-20120232067-A1 BENZODIAZEPINONE COMPOUNDS AND METHODS OF TREATMENT USING SAME TPH1, GABBR1, RORC EGFR 2597/4885BACE1 3375/4885DHFR 269/4885
US-20120259123-A1 AMINOPYRIDINE COMPOUND PTGIS, QDPR, PTGIR EGFR 4304/4885BACE1 2934/4885DHFR 1000/4885

“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.