SCHEMBL2944118

SCHEMBL2944118

COC(=O)C=CC=CC(=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
SCHEMBL821014 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-110023285-B Process for producing epsilon-caprolactam 东丽株式会社 2023-01-17 CN disclosed
EP-3782976-A1 SUSTAINABLE PROCESS FOR PRODUCING MUCONIC, HEXENEDIOIC AND ADIPIC ACID (AND THEIR ESTERS) FROM ALDARIC ACIDS BY HETEROGENEOUS CATALYSIS Kemijski Institut (SI) 2021-02-24 EP disclosed
US-9666904-B2 Secondary battery NEC CORPORATION (JP) 2017-05-30 US disclosed
US-20150194703-A1 SECONDARY BATTERY NEC CORPORATION (JP) 2015-07-09 US disclosed
US-7727677-B2 Nonaqueous electrolyte solution and lithium secondary battery using same UBE INDUSTRIES, LTD. (JP) 2010-06-01 US disclosed
EP-1758198-B1 NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME UBE INDUSTRIES (JP) 2009-07-08 EP 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
US-6627580-B2 Conjugated imines that are selectivite for tri-valent manganese ions; used for the treatment of manganese deficiency in plant cultivation AKZO NOBEL N.V. (NL) 2003-09-30 US disclosed
US-20020156308-A1 Conjugated imines that are selectivite for tri-valent manganese ions; used for the treatment of manganese deficiency in plant cultivation HAKANSON CHRISTER L (SE) 2002-10-24 US disclosed
US-6458980-B1 MANGANIC CHELATES OF THE CHELATING AGENTS AND SALTS WITH PERMANGANATE OR MANGANESE DIOXIDE CHELATING AGENTS (CHELANTS) OF THE GENERAL STRUCTURE: DEFICIENCY IN PLANT CULTIVATION. AKZO NOBEL NV (NL) 2002-10-01 US disclosed
EP-0998450-A1 CHELATING AGENTS AND THEIR MANGANIC CHELATES Akzo Nobel N.V. (NL) 2000-05-10 EP disclosed
WO-1999002487-A1 CHELATING AGENTS AND THEIR MANGANIC CHELATES AKZO NOBEL N.V. (NL) 1999-01-21 WO 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 (1 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-20020156308-A1 Conjugated imines that are selectivite for tri-valent manganese ions; used for the treatment of manganese deficiency in plant cultivation MT-CO2, ZC3HAV1, MT-CO1 NFE2L2 328/4885HCAR2 1015/4885KEAP1 469/4885

“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.