SCHEMBL10037039

SCHEMBL10037039

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OCC(O)CC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.69
CYP3A4 P08684 2/20 0.69
ALOX15 P16050 2/20 0.69
HSD17B10 Q99714 2/20 0.69
TDP1 Q9NUW8 2/20 0.69
TSHR P16473 1/20 0.69
FAAH O00519 2/20 0.64
DGKA P23743 1/20 0.63
NR1I2 O75469 2/20 0.60
PTGS2 P35354 2/20 0.60
PGR P06401 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
PDE4D Q08499 1/20 0.60
LPAR1 Q92633 7/20 0.56
LPAR4 Q99677 3/20 0.56
LPAR2 Q9HBW0 3/20 0.56
LPAR3 Q9UBY5 3/20 0.56
ENPP2 Q13822 2/20 0.56
LPAR5 Q9H1C0 2/20 0.56
CES2 O00748 1/20 0.56

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
SCHEMBL27897188 1.00 ALDH1A1 (0.69) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL3195987 0.94 ALDH1A1 (0.73) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL10037041 0.94 ADORA3 (0.68) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL28064656 0.92 FAAH (0.76) FAAHDGKALPAR1LPAR4LPAR2
1-Monolinolenin SCHEMBL23611226 0.90 FAAH (0.78) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
1-Monolinolenin SCHEMBL1580284 0.90 FAAH (0.78) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
1-Monolinolenin SCHEMBL18340460 0.90 FAAH (0.78) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL19676635 0.90 FAAH (0.74) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL30733166 0.90 FAAH (0.74) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
1-Monolinolenin SCHEMBL23611225 0.90 FAAH (0.78) ALDH1A1CYP3A4ALOX15HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329747-B2 Polyunsaturated fatty acid monoglycerides, derivatives, and uses thereof Centro de Recherche sur les Biotechnologies Marines (CA) 2012-12-11 US disclosed
US-8119690-B2 Polyunsaturated fatty acid monoglycerides, derivatives, and uses thereof CENTRE DE RECHERCHE SUR LES BIOTECHNOLOGIES MARINES (CA) 2012-02-21 US disclosed
US-20100160261-A1 POLYUNSATURATED FATTY ACID MONOGLYCERIDES, DERIVATIVES, AND USES THEREOF SCF PHARMA INC. (CA) 2010-06-24 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-20100160261-A1 POLYUNSATURATED FATTY ACID MONOGLYCERIDES, DERIVATIVES, AND USES THEREOF FASN, MGLL, FADS1 ALDH1A1 695/4885CYP3A4 4044/4885ALOX15 34/4885

“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.