SCHEMBL13183306

SCHEMBL13183306

CC#CCCCCC/C=C/C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 4/20 0.43
PTPN1 P18031 2/20 0.42
TBXAS1 P24557 3/20 0.40
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
GMNN O75496 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
APEX1 P27695 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DUSP3 P51452 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
SCHEMBL13183289 1.00 HMGCR (0.43) HMGCRPTPN1TBXAS1PPARGPPARA
SCHEMBL13183330 0.98 HMGCR (0.41) HMGCRPTPN1TBXAS1PPARGPPARA
SCHEMBL13183245 0.92 PTPN1 (0.38) HMGCRPTPN1TBXAS1PPARGPPARA
SCHEMBL4234744 0.86 HMGCR (0.42) HMGCRPTPN1TBXAS1
SCHEMBL9983184 0.84 PTPN1 (0.57) HMGCRPTPN1PPARGPPARAGMNN
SCHEMBL29460064 0.84 PTPN1 (0.57) HMGCRPTPN1PPARGPPARAGMNN
SCHEMBL3938657 0.84 PTPN1 (0.57) HMGCRPTPN1PPARGPPARAGMNN
SCHEMBL3938661 0.84 PTPN1 (0.57) HMGCRPTPN1PPARGPPARAGMNN
SCHEMBL9983182 0.84 PTPN1 (0.57) HMGCRPTPN1PPARGPPARAGMNN
SCHEMBL8069384 0.80 HMGCR (0.60) HMGCRPTPN1PPARGPPARAGMNN

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-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 HMGCR 1517/4885PTPN1 4204/4885TBXAS1 1387/4885

“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.