SCHEMBL938137

SCHEMBL938137

COC(=O)/C=C/CN(C)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
GFPT1 Q06210 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CHRNB2 P17787 3/20 0.33
CHRNA4 P43681 3/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TTR P02766 1/20 0.32
APP P05067 1/20 0.32
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
TYR P14679 1/20 0.31
CA7 P43166 1/20 0.31

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
SCHEMBL18909600 0.81 HCAR2 (0.38) HCAR2KEAP1NFE2L2GFPT1ALDH1A1
SCHEMBL938157 0.79 HCAR2 (0.52) HCAR2KEAP1NFE2L2GFPT1ALDH1A1
SCHEMBL2132535 0.79 HCAR2 (0.52) HCAR2KEAP1NFE2L2GFPT1ALDH1A1
Hydrochloric Acid SCHEMBL2134245 0.78 HCAR2 (0.50) HCAR2KEAP1NFE2L2GFPT1ALDH1A1
SCHEMBL13372683 0.78 TSHR (0.39) HCAR2ALDH1A1CHRNB2CHRNA4CHRNB4
Hydrochloric Acid SCHEMBL2134248 0.78 HCAR2 (0.50) HCAR2KEAP1NFE2L2GFPT1ALDH1A1
SCHEMBL18904850 0.78 CHRNB2 (0.34) ALDH1A1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL12908892 0.78 TSHR (0.39) HCAR2ALDH1A1CHRNB2CHRNA4CHRNB4
SCHEMBL30301080 0.77 HCAR2 (0.34) HCAR2KEAP1NFE2L2CA12CA14
SCHEMBL19547934 0.76 ALDH1A1 (0.35) ALDH1A1CHRNB2CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4519265-A1 IRREVERSIBLE MUTEGFR INHIBITORS Bayer Aktiengesellschaft (DE) 2025-03-12 EP disclosed
WO-2023213882-A1 IRREVERSIBLE MUTEGFR INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-09 WO disclosed
US-20170152264-A1 AMINOPYRIDAZINONE COMPOUNDS AS PROTEIN KINASE INHIBITORS Eternity Bioscience Inc. (US) 2017-06-01 US disclosed
US-20110021493-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 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-20170152264-A1 AMINOPYRIDAZINONE COMPOUNDS AS PROTEIN KINASE INHIBITORS SSB, MAPKAPK5, BCL9 HCAR2 3748/4885KEAP1 1402/4885NFE2L2 1001/4885
US-20110021493-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF CYP11B2, CYP11B1, CYP11A1 HCAR2 777/4885KEAP1 217/4885NFE2L2 691/4885

“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.