SCHEMBL820946

SCHEMBL820946

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
SCHEMBL823097 1.00 NFE2L2 (0.75) NFE2L2HCAR2KEAP1ALDH1A1ALOX15
SCHEMBL821014 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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230346951-A1 MOLECULAR DEGRADERS OF EXTRACELLULAR PROTEINS YALE UNIVERSITY 2023-11-02 US disclosed
US-10913702-B2 Method for cycloaddition of dimethyl muconate SK CHEMICALS CO.. LTD. (KR) 2021-02-09 US disclosed
US-20200399201-A1 METHOD FOR CYCLOADDITION OF DIMETHYL MUCONATE SK CHEMICALS CO., LTD. (KR) 2020-12-24 US disclosed
US-9073867-B2 Process for preparing caprolactam and polyamides therefrom Amyris, Inc. (US) 2015-07-07 US disclosed
US-8426639-B2 Preparation of trans, trans muconic acid and trans, trans muconates Amyris, Inc. (US) 2013-04-23 US disclosed
US-8426639-B2 Preparation of trans, trans muconic acid and trans, trans muconates Amyris, Inc. (US) 2013-04-23 US disclosed
US-8415496-B2 Biobased polyesters Amyris, Inc. 2013-04-09 US disclosed
US-8415496-B2 Biobased polyesters Amyris, Inc. 2013-04-09 US disclosed
US-20130085255-A1 Process for Preparing Caprolactam and Polyamides Therefrom Amyris, Inc. (US) 2013-04-04 US disclosed
US-8367859-B2 Cyclohexane 1,4 carboxylates Amyris, Inc. (US) 2013-02-05 US disclosed
US-20110282078-A1 CYCLOHEXENE 1,4 -CARBOXYLATES DRATHS CORPORATION (US) 2011-11-17 US disclosed
US-20110282078-A1 CYCLOHEXENE 1,4 -CARBOXYLATES DRATHS CORPORATION (US) 2011-11-17 US disclosed
WO-2010148081-A2 NOVEL TEREPHTHALIC AND TRIMELLITIC BASED ACIDS AND CARBOXYLATE DERIVATIVES THEREOF DRATHS CORPORATION (US) 2010-12-23 WO disclosed
WO-2010148063-A2 CYCLOHEXENE 1,4-CARBOXYLATES DRATHS CORPORATION (US) 2010-12-23 WO disclosed
WO-2010148049-A2 PREPARATION OF TRANS, TRANS MUCONIC ACID AND TRANS, TRANS MUCONATES DRATHS CORPORATION (US) 2010-12-23 WO disclosed
WO-2010148080-A2 CYCLOHEXANE 1,4 CARBOXYLATES DRATHS CORPORATION (US) 2010-12-23 WO disclosed
WO-2010148070-A2 BIOBASED POLYESTERS DRATHS CORPORATION (US) 2010-12-23 WO disclosed
US-20100314243-A1 PREPARATION OF TRANS,TRANS MUCONIC ACID AND TRANS,TRANS MUCONATES DRATHS CORPORATION (US) 2010-12-16 US disclosed
US-20100314243-A1 PREPARATION OF TRANS,TRANS MUCONIC ACID AND TRANS,TRANS MUCONATES DRATHS CORPORATION (US) 2010-12-16 US disclosed
WO-2010085712-A2 METHODS FOR PRODUCING DODECANEDIOIC ACID AND DERIVATIVES THEREOF DRATHS CORPORATION (US) 2010-07-29 WO 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 (6 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-20200399201-A1 METHOD FOR CYCLOADDITION OF DIMETHYL MUCONATE MUC1, MPST, DIMT1 NFE2L2 2663/4885HCAR2 1984/4885KEAP1 3011/4885
US-20130085255-A1 Process for Preparing Caprolactam and Polyamides Therefrom ACMSD, CPSF6, MGAM NFE2L2 4017/4885HCAR2 2539/4885KEAP1 4272/4885
US-20230346951-A1 MOLECULAR DEGRADERS OF EXTRACELLULAR PROTEINS ASGR1, MSR1, LDLR NFE2L2 3938/4885HCAR2 1122/4885KEAP1 3603/4885
US-20110282078-A1 CYCLOHEXENE 1,4 -CARBOXYLATES CBR1, MCM4, CCR4 NFE2L2 411/4885HCAR2 172/4885KEAP1 132/4885
US-20100314243-A1 PREPARATION OF TRANS,TRANS MUCONIC ACID AND TRANS,TRANS MUCONATES MUC1, FUT6, ST6GAL1 NFE2L2 3923/4885HCAR2 1620/4885KEAP1 3100/4885
US-10913702-B2 Method for cycloaddition of dimethyl muconate MUC1, MPST, DIMT1 NFE2L2 2663/4885HCAR2 1984/4885KEAP1 3011/4885

“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.