SCHEMBL9999396

SCHEMBL9999396

COC(=O)/C=C/CCCCCCCC#N

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
MAPT P10636 1/20 0.38
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35
HMGCR P04035 2/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL20010940 1.00 HCAR2 (0.40) HCAR2KEAP1NFE2L2MAPTALDH1A1
SCHEMBL9999399 1.00 HCAR2 (0.40) HCAR2KEAP1NFE2L2MAPTALDH1A1
SCHEMBL11747448 0.93 HCAR2 (0.43) HCAR2KEAP1NFE2L2MAPTALDH1A1
SCHEMBL11747435 0.93 HCAR2 (0.43) HCAR2KEAP1NFE2L2MAPTALDH1A1
SCHEMBL4799720 0.85 HCAR2 (0.46) HCAR2KEAP1NFE2L2MAPTALDH1A1
SCHEMBL4799716 0.85 HCAR2 (0.46) HCAR2KEAP1NFE2L2MAPTALDH1A1
SCHEMBL29626440 0.85 HCAR2 (0.55) HCAR2KEAP1NFE2L2MAPTALDH1A1
SCHEMBL31681514 0.85 HCAR2 (0.55) HCAR2KEAP1NFE2L2MAPTALDH1A1
SCHEMBL11631787 0.83 MAPT (0.58) HCAR2MAPTALDH1A1HMGCR
SCHEMBL11631792 0.83 MAPT (0.58) HCAR2MAPTALDH1A1HMGCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8697401-B2 Method for synthesizing an ω-amino acid or ester from a monounsaturated fatty acid or ester ARKEMA FRANCE (FR) 2014-04-15 US disclosed
US-20110300590-A1 Method for Synthesizing an Omega-Amino Acid or Ester from a Monounsaturated Fatty Acid or Ester ARKEMA FRANCE (FR) 2011-12-08 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-20110300590-A1 Method for Synthesizing an Omega-Amino Acid or Ester from a Monounsaturated Fatty Acid or Ester FASN, ELOVL3, ELOVL5 HCAR2 313/4885KEAP1 2179/4885NFE2L2 1438/4885

“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.