SCHEMBL20128467

SCHEMBL20128467

COC(=O)/C=C\C(=O)Nc1c(C)c(C)c(NC(=O)/C=C\C(=O)OC)c(C)c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 2/20 0.54
▸ KEAP1 Q14145 1/20 0.54
▸ NFE2L2 Q16236 1/20 0.54
▸ LMNA P02545 6/20 0.46
▸ HTT P42858 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ MAPT P10636 9/20 0.45
▸ ALDH1A1 P00352 7/20 0.45
▸ PARP1 P09874 1/20 0.44
▸ PARP15 Q460N3 1/20 0.44
▸ PARP14 Q460N5 1/20 0.44
▸ PARP10 Q53GL7 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CACNA1B Q00975 1/20 0.42
▸ APBA1 Q02410 1/20 0.42

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
SCHEMBL20128473 0.87 HCAR2 (0.41) HCAR2KEAP1NFE2L2LMNAHTT
SCHEMBL20128471 0.82 MAPT (0.43) HCAR2KEAP1NFE2L2LMNAHTT
SCHEMBL20129342 0.79 MAPT (0.50) HCAR2KEAP1NFE2L2LMNAHTT
SCHEMBL20129338 0.78 ALDH1A1 (0.52) HCAR2KEAP1NFE2L2LMNAHTT
SCHEMBL20129016 0.75 ALDH1A1 (0.66) HCAR2KEAP1NFE2L2LMNAHTT
SCHEMBL20129844 0.75 ALDH1A1 (0.66) HCAR2KEAP1NFE2L2LMNAHTT
SCHEMBL20129482 0.75 ALDH1A1 (0.66) HCAR2KEAP1NFE2L2LMNAHTT
SCHEMBL20129341 0.75 MAPT (0.49) HCAR2KEAP1NFE2L2LMNAHTT
SCHEMBL21964229 0.74 LMNA (0.53) HCAR2KEAP1NFE2L2LMNAHTT
Dimethyl Fumarate SCHEMBL41836 0.74 NFE2L2 (1.00) HCAR2KEAP1NFE2L2LMNAHTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180126784-A1 RUBBER COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-10 — — 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-20180126784-A1 RUBBER COMPOSITION RER1, KPNB1, KPNA1 HCAR2 3674/4885KEAP1 621/4885NFE2L2 3854/4885

“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.

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