SCHEMBL46362

SCHEMBL46362

C=CCOC1CCC(=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.37
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL13912697 0.88 EPHX2 (0.35) EPHX2ALDH1A1
SCHEMBL7758179 0.88 EPHX2 (0.32) EPHX2
SCHEMBL11283374 0.81 ALDH1A1 (0.30) ALDH1A1
SCHEMBL3933914 0.79
SCHEMBL472084 0.79 EPHX2 (0.44) EPHX2ALDH1A1
SCHEMBL3945815 0.75
SCHEMBL3943544 0.75
SCHEMBL21047780 0.75 NFE2L2 (0.41)
SCHEMBL607099 0.74 JAK2 (0.37)
SCHEMBL3942984 0.73 NPC1 (0.40) EPHX2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3495341-B1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL KANTO DENKA KOGYO KK (JP) 2022-11-02 EP disclosed
CN-109563016-B Method for producing perfluoroalkyl compound using monohydroperfluoroalkane as starting material 关东电化工业株式会社 2022-05-13 CN disclosed
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material KANTO DENKA KOGYO CO., LTD. (JP) 2019-10-22 US disclosed
EP-3495341-A1 METHOD FOR PRODUCING PERFLUOROALKYL COMPOUND USING MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL Kanto Denka Kogyo Co., Ltd. (JP) 2019-06-12 EP disclosed
US-20190169107-A1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL NATIONAL UNIVERSITY CORPORATION GUNMA UNIVERSITY (JP) 2019-06-06 US disclosed
CN-104151209-B A kind of 5-oxyl-2-oxo cyclohexyl sulfonamide compound and preparation method thereof and application CHINA AGRICULTURAL UNIVERSITY (CN) 2016-05-18 CN disclosed
US-9115136-B2 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-25 US disclosed
EP-2233466-B1 4-Alkoxy-1-amino-1-cyclohexanecarboxylic acid derivatives and their use as intermediates BAYER IP GMBH (DE) 2015-06-10 EP disclosed
EP-2580208-B1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-05-06 EP disclosed
EP-2580208-B1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-05-06 EP disclosed
US-20100197683-A1 FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-08-05 US disclosed
US-7754654-B2 Substituted spirocyclic ketoenols BAYER CROPSCIENCE AG (DE) 2010-07-13 US disclosed
US-7754654-B2 Substituted spirocyclic ketoenols BAYER CROPSCIENCE AG (DE) 2010-07-13 US disclosed
US-20070275858-A1 SUBSTITUTED SPIROCYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2007-11-29 US disclosed
US-20070275858-A1 SUBSTITUTED SPIROCYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2007-11-29 US disclosed
EP-1082449-B1 METHOD FOR STEREOSELECTIVE PRODUCTION OF SUBSTITUTED CYCLOHEXYLCYANHYDRINS BAYER CROPSCIENCE AG (DE) 2003-03-05 EP disclosed
US-6465222-B1 REACTING 4-SUBSTITUTED CYCLOHEXANONE WITH CYANIDE IN PRESENCE OF OXYNITRILASE; CYANATION BAYER AKTIENGESELLSCHAFT (DE) 2002-10-15 US disclosed
EP-0780369-B1 1-Phenyl-2-dimethylaminomethyl-cyclohexan-1-ol derivatives as pharmaceutical agents GRUENENTHAL GMBH (DE) 2000-01-19 EP disclosed
US-5801201-A 1-phenyl-2-dimenthylaminomethyl-cyclohexan-1-ol compounds as pharmaceutical active ingredients GRUENENTHAL GMBH (DE) 1998-09-01 US disclosed
EP-0780369-A1 1-Phenyl-2-dimethylaminomethyl-cyclohexan-1-ol derivatives as pharmaceutical agents Grünenthal GmbH (DE) 1997-06-25 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 (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-20070275858-A1 SUBSTITUTED SPIROCYCLIC KETOENOLS PDHX, CYP19A1, AKR1A1 EPHX2 117/4885ALDH1A1 277/4885
US-20190169107-A1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL PFKFB1, PFKFB4, PFAS EPHX2 625/4885ALDH1A1 505/4885
US-20100197683-A1 FUSED RING COMPOUND AND USE THEREOF PPARA, PPARG, AGTR2 EPHX2 1505/4885ALDH1A1 1050/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS EPHX2 625/4885ALDH1A1 505/4885

“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.