SCHEMBL821014

SCHEMBL821014

COC(=O)/C=C/C=C/C(=O)OC

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.75
HCAR2 Q8TDS4 2/20 0.75
KEAP1 Q14145 1/20 0.75
ALDH1A1 P00352 5/20 0.52
ALOX15 P16050 2/20 0.52
HSD17B10 Q99714 2/20 0.52
RECQL P46063 1/20 0.52
MAPT P10636 4/20 0.45
KDM4E B2RXH2 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
TYR P14679 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
TTR P02766 1/20 0.39
APP P05067 1/20 0.39
MEN1 O00255 3/20 0.38

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
SCHEMBL820946 1.00 NFE2L2 (0.75) NFE2L2HCAR2KEAP1ALDH1A1ALOX15
SCHEMBL823097 1.00 NFE2L2 (0.75) NFE2L2HCAR2KEAP1ALDH1A1ALOX15
SCHEMBL2944118 1.00 NFE2L2 (0.75) NFE2L2HCAR2KEAP1ALDH1A1ALOX15
Carbon Monoxide SCHEMBL11053883 0.91 NFE2L2 (0.63) NFE2L2HCAR2KEAP1ALDH1A1ALOX15
Methyl Sorbate SCHEMBL166359 0.89
Methyl Sorbate SCHEMBL821214 0.89
SCHEMBL11203918 0.89 HCAR2 (0.71) NFE2L2HCAR2KEAP1ALDH1A1ALOX15
Methyl Sorbate SCHEMBL14764128 0.89 NFE2L2 (0.60) NFE2L2HCAR2KEAP1ALDH1A1ALOX15
SCHEMBL13036666 0.89 NFE2L2 (0.60) NFE2L2HCAR2KEAP1ALDH1A1ALOX15
SCHEMBL11203915 0.89 HCAR2 (0.71) NFE2L2HCAR2KEAP1ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116178143-B 1, 4-Naphthalene dicarboxylic acid/ester, 1, 4-naphthalene dicarboxylic acid derivative, and preparation method and application thereof 中国科学院大连化学物理研究所 2024-10-01 CN disclosed
US-20240262781-A1 DEPOLYMERIZABLE POLYOLEFINS FROM SOLUTION-PHASE POLYMERIZATION PURDUE RESEARCH FOUNDATION 2024-08-08 US disclosed
US-20230373895-A1 ISOMERIZATION OF CYCLOHEXENEDICARBOXYLIC ACID AND ITS DERIVATIVES UNITED STATES DEPARTMENT OF ENERGY 2023-11-23 US disclosed
US-20230373895-A1 ISOMERIZATION OF CYCLOHEXENEDICARBOXYLIC ACID AND ITS DERIVATIVES UNITED STATES DEPARTMENT OF ENERGY 2023-11-23 US disclosed
EP-3782976-B1 SUSTAINABLE PROCESS FOR PRODUCING MUCONIC, HEXENEDIOIC AND ADIPIC ACID (AND THEIR ESTERS) FROM ALDARIC ACIDS BY HETEROGENEOUS CATALYSIS KEMIJSKI INST (SI) 2023-10-18 EP disclosed
EP-4214187-A1 ISOMERIZATION OF CYCLOHEXENEDICARBOXYLIC ACID AND ITS DERIVATIVES Iowa State University Research Foundation, Inc. (US) 2023-07-26 EP disclosed
CN-116178143-A 1, 4-naphthalene dicarboxylic acid/ester, 1, 4-naphthalene dicarboxylic acid derivative, and preparation method and application thereof 中国科学院大连化学物理研究所 2023-05-30 CN disclosed
US-11518847-B2 Polymers and methods of making the same ALLIANCE FOR SUSTAINABLE ENERGY, LLC (US) 2022-12-06 US disclosed
CN-114621074-A Preparation method and application of pyromellitic acid 中国科学院大连化学物理研究所 2022-06-14 CN disclosed
WO-2022061271-A1 ISOMERIZATION OF CYCLOHEXENEDICARBOXYLIC ACID AND ITS DERIVATIVES IOWA STATE UNIVERSITY RESEARCHFOUNDATION, INC. (US) 2022-03-24 WO disclosed
US-20080038644-A1 Nonaques Electrolyte Solution And Lithium Secondary Battery Using Same UBE INDUSTRIES, LTD. (JP) 2008-02-14 US disclosed
EP-1758198-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME Ube Industries, Ltd. (JP) 2007-02-28 EP disclosed
CN-1097038-C Method for producing 1,6-hexanediol BASF AG (DE) 2002-12-25 CN disclosed
CN-1272835-A Process for preparing 1, 6-hexanediol BASF AG (DE) 2000-11-08 CN disclosed
CN-1269782-A Chelating agents and their manganic chelates AKZO NOBEL NV (NL) 2000-10-11 CN disclosed
CN-1192154-A Combinatorial libraries of substrate-bound cyclic organic compounds CHIRON CORP (US) 1998-09-02 CN disclosed
CN-1182436-A Thrombin inhibitors based on the amino acid sequence of hirudin CA NAT RESEARCH COUNCIL (CA) 1998-05-20 CN disclosed
US-4195184-A Preparation of unsaturated monoesters by catalytic oxidative carbonylation of diolefins ATLANTIC RICHFIELD COMPANY (US) 1980-03-25 US disclosed
US-4189599-A Preparation of dimethyl adipate by the hydrogenation of dimethyl hex-3-endioate ATLANTIC RICHFIELD COMPANY (US) 1980-02-19 US disclosed
US-4166913-A COMPOUNDS OF PLATINUM GROUP AND OF COPPER OR IRON AS CATALYSTS ATLANTIC RICHFIELD COMPANY (US) 1979-09-04 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 (2 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-20230373895-A1 ISOMERIZATION OF CYCLOHEXENEDICARBOXYLIC ACID AND ITS DERIVATIVES CYP17A1, CYP21A2, CYP19A1 NFE2L2 2870/4885HCAR2 70/4885KEAP1 1470/4885
US-20240262781-A1 DEPOLYMERIZABLE POLYOLEFINS FROM SOLUTION-PHASE POLYMERIZATION CTDSP1, MACF1, PUF60 NFE2L2 4102/4885HCAR2 3524/4885KEAP1 4199/4885

“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.