SCHEMBL967579

SCHEMBL967579

CCNC(=O)OC1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 1.00
NAAA Q02083 2/20 0.47
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39

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
SCHEMBL965658 0.98 EPHX1 (0.96) EPHX1NAAAHTTSMN1; SMN2ALDH1A1
SCHEMBL15777906 0.94 EPHX1 (0.89) EPHX1NAAAHTTSMN1; SMN2ALDH1A1
SCHEMBL8374492 0.90
SCHEMBL14424470 0.85 EPHX1 (0.73) EPHX1NAAAHTTSMN1; SMN2ALDH1A1
SCHEMBL19962463 0.84 EPHX1 (0.72) EPHX1NAAAHTTSMN1; SMN2ALDH1A1
SCHEMBL13596984 0.84 EPHX1 (0.71) EPHX1HSD17B10BCHE
SCHEMBL10817282 0.83 EPHX1 (0.71) EPHX1NAAAHTTSMN1; SMN2ALDH1A1
SCHEMBL23200480 0.82 EPHX1 (0.70) EPHX1NAAASMN1; SMN2ALDH1A1GAA
SCHEMBL18265727 0.82 EPHX1 (0.70) EPHX1NAAAALDH1A1GAAMEN1
SCHEMBL2801495 0.82 EPHX1 (0.69) EPHX1NAAAGAABCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101559053-A 5-membered heterocycle derivatives, production thereof and use thereof as medicaments SOD CONSEILS RECH APPLIC (FR) 2009-10-21 CN claimed
CN-118225933-A Method for detecting content of cyclohexyl carbamate by adopting single-four-level rod mass spectrometer 天津力生制药股份有限公司 2024-06-21 CN disclosed
EP-2831079-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF Agency For Science, Technology And Research (SG) 2015-02-04 EP disclosed
US-8815951-B2 Inhibitors of epoxide hydrolases for the treatment of inflammation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-08-26 US disclosed
US-8815951-B2 Inhibitors of epoxide hydrolases for the treatment of inflammation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-08-26 US disclosed
WO-2013147711-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2013-10-03 WO disclosed
EP-2128139-B1 FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME, AND FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE OBTAINED BY USING THE FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME MITSUI CHEMICALS AGRO INC (JP) 2013-08-07 EP disclosed
US-8450518-B2 Method for preparing a carbamate, a catalyst applied in the method, a method for preparing the catalyst and use thereof BAYER MATERIALSCIENCE AG (DE) 2013-05-28 US disclosed
US-8344156-B2 Method for producing fluorine-containing acylacetic acid derivative, method for producing fluorine-containing pyrazolecarboxylic acid ester derivative, and method for producing fluorine-containing pyrazolecarboxylic acid derivative MITSUI CHEMICALS AGRO, INC. (JP) 2013-01-01 US disclosed
US-20110245331-A1 INHIBITORS OF EPOXIDE HYDROLASES FOR THE TREATMENT OF HYPERTENSION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-10-06 US disclosed
US-20100016612-A1 FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME, AND FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE OBTAINED BY USING THE FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME MITSUI CHEMICALS AGRO, INC (JP) 2010-01-21 US disclosed
EP-2128139-A1 FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME, AND FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE OBTAINED BY USING THE FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME MITSUI CHEMICALS AGRO, INC. (JP) 2009-12-02 EP disclosed
CN-101559053-A 5-membered heterocycle derivatives, production thereof and use thereof as medicaments SOD CONSEILS RECH APPLIC (FR) 2009-10-21 CN disclosed
CN-100488506-C 5-membered heterocyclic derivatives, their preparation and their use as medicaments SOD CONSEILS RECH APPLIC (FR) 2009-05-20 CN disclosed
US-20070117782-A1 INHIBITORS OF EPOXIDE HYDROLASES FOR THE TREATMENT OF INFLAMMATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-05-24 US disclosed
US-20070117782-A1 INHIBITORS OF EPOXIDE HYDROLASES FOR THE TREATMENT OF INFLAMMATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-05-24 US disclosed
US-7176208-B2 Prevent reproduction of hepatitis virus ENANTA PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
CN-1391474-A 5-membered heterocyclic derivatives, their preparation and their use as medicaments SOD CONSEILS RECH APPLIC (FR) 2003-01-15 CN disclosed
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 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 (3 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-20110245331-A1 INHIBITORS OF EPOXIDE HYDROLASES FOR THE TREATMENT OF HYPERTENSION EPHX1, EPHX2, NCEH1 EPHX1 1/4885NAAA 294/4885HTT 4396/4885
US-20100016612-A1 FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME, AND FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE OBTAINED BY USING THE FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME AFF1, AFF2, PFAS EPHX1 2044/4885NAAA 113/4885HTT 3536/4885
US-20070117782-A1 INHIBITORS OF EPOXIDE HYDROLASES FOR THE TREATMENT OF INFLAMMATION EPHX1, LTA4H, PTGS1 EPHX1 1/4885NAAA 407/4885HTT 4442/4885

“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.