SCHEMBL2120986

SCHEMBL2120986

CCCCCCC(O)C/C=C/CCCCCCCC(=O)OC(=O)C(O)CO

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.63
FFAR4 Q5NUL3 1/20 0.63
DGKA P23743 1/20 0.58
FAAH O00519 4/20 0.56
PRKCA P17252 2/20 0.50
PRKCE Q02156 1/20 0.50
PRKCQ Q04759 1/20 0.50
PRKCD Q05655 1/20 0.50
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
LPAR1 Q92633 6/20 0.47
LPAR4 Q99677 3/20 0.47
LPAR2 Q9HBW0 3/20 0.47
LPAR3 Q9UBY5 3/20 0.47
ENPP2 Q13822 2/20 0.47
LPAR5 Q9H1C0 2/20 0.47
CES2 O00748 1/20 0.47
LPAR6 P43657 1/20 0.47
TRPV1 Q8NER1 1/20 0.47

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
SCHEMBL15686 1.00 FFAR1 (0.63) FFAR1FFAR4DGKAFAAHPRKCA
Propene SCHEMBL22734254 0.96 FFAR1 (0.58) FFAR1FFAR4DGKAFAAHPRKCA
SCHEMBL15602 0.90 DGKA (0.66) DGKAFAAHPRKCAPRKCEPRKCQ
SCHEMBL1768202 0.90 DGKA (0.66) DGKAFAAHPRKCAPRKCEPRKCQ
SCHEMBL15664644 0.90 DGKA (0.66) DGKAFAAHPRKCAPRKCEPRKCQ
Benzil SCHEMBL5173236 0.89 FFAR1 (0.54) FFAR1FFAR4DGKAFAAHPRKCA
SCHEMBL270143 0.89 FFAR1 (0.74) FFAR1FFAR4DGKAFAAHNFKB1
SCHEMBL4440862 0.89 DGKA (0.64) DGKAFAAHPRKCAPRKCEPRKCQ
SCHEMBL2187986 0.89 FFAR1 (0.74) FFAR1FFAR4DGKAFAAHNFKB1
SCHEMBL21314220 0.89 FFAR1 (0.74) FFAR1FFAR4DGKAFAAHNFKB1

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-20120093896-A1 USE OF NANODISPERSIONS TO PROTECT WATER-SOLUBLE INGREDIENTS IN COSMETIC END FORMULATIONS CIBA CORPORATION (US) 2012-04-19 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-20120093896-A1 USE OF NANODISPERSIONS TO PROTECT WATER-SOLUBLE INGREDIENTS IN COSMETIC END FORMULATIONS CUTA, PROC, RBP1 FFAR1 787/4885FFAR4 1925/4885DGKA 175/4885

“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.