SCHEMBL3463543

SCHEMBL3463543

COC(=O)/C(C)=C/CCCN

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 4/20 0.35
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP1A2 P05177 1/20 0.31
MAP3K7 O43318 1/20 0.30
TAB1 Q15750 1/20 0.30

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
SCHEMBL2064032 1.00 PAOX (0.35) PAOXALDH1A1CYP2D6CYP2C19CYP1A2
SCHEMBL3462858 0.94 PAOX (0.38) PAOXALDH1A1CYP2D6CYP2C19
SCHEMBL3462857 0.94 PAOX (0.38) PAOXALDH1A1CYP2D6CYP2C19
SCHEMBL2063670 0.88 ALDH1A1 (0.36) ALDH1A1CYP2D6CYP2C19MAP3K7TAB1
SCHEMBL689957 0.82 EP300 (0.39) ALDH1A1CYP2D6CYP2C19
SCHEMBL1584162 0.82 ALDH1A1 (0.34) ALDH1A1CYP2D6CYP2C19
SCHEMBL2771421 0.82 EP300 (0.39) ALDH1A1CYP2D6CYP2C19
SCHEMBL9342170 0.81 ALDH1A1 (0.36) PAOXALDH1A1CYP2D6CYP2C19CYP1A2
SCHEMBL2063237 0.81 CYP2D6 (0.47) ALDH1A1CYP2D6CYP2C19CYP1A2
Ethylamine SCHEMBL29202274 0.80 CYP2D6 (0.36) ALDH1A1CYP2D6CYP2C19MAP3K7TAB1

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-2111391-B9 NEW UNSATURATED FATTY AMINO-ACID DERIVATIVES AND USE THEREOF IN DERMAL COSMETOLOGY FABRE PIERRE DERMO COSMETIQUE (FR) 2013-05-29 EP claimed
EP-2111391-B1 NEW UNSATURATED FATTY AMINO-ACID DERIVATIVES AND USE THEREOF IN DERMAL COSMETOLOGY FABRE PIERRE DERMO COSMETIQUE (FR) 2012-10-31 EP claimed
US-20100240754-A1 UNSATURATED FATTY AMINO ACID DERIVATIVES AND USE THEREOF IN DERMAL COSMETOLOGY Pierre Fabre Demo-Cosmetique (FR) 2010-09-23 US claimed
US-20100240754-A1 UNSATURATED FATTY AMINO ACID DERIVATIVES AND USE THEREOF IN DERMAL COSMETOLOGY Pierre Fabre Demo-Cosmetique (FR) 2010-09-23 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-20100240754-A1 UNSATURATED FATTY AMINO ACID DERIVATIVES AND USE THEREOF IN DERMAL COSMETOLOGY FFAR3, FFAR2, BCAT1 PAOX 517/4885ALDH1A1 690/4885CYP2D6 507/4885

“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.