SCHEMBL18177537

SCHEMBL18177537

CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.60
FFAR4 Q5NUL3 1/20 0.60
FAAH O00519 2/20 0.54
EPHX2 P34913 1/20 0.54
DGKA P23743 2/20 0.53
LPAR1 Q92633 7/20 0.51
LPAR4 Q99677 3/20 0.51
LPAR2 Q9HBW0 3/20 0.51
LPAR3 Q9UBY5 3/20 0.51
ENPP2 Q13822 3/20 0.51
LPAR5 Q9H1C0 2/20 0.51
CES2 O00748 1/20 0.51
LPAR6 P43657 1/20 0.51
TRPV1 Q8NER1 1/20 0.51
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46

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
SCHEMBL3092649 0.96 FFAR1 (0.64) FFAR1FFAR4FAAHDGKALPAR1
SCHEMBL28209380 0.96 FFAR1 (0.64) FFAR1FFAR4FAAHDGKALPAR1
SCHEMBL17228577 0.95 FFAR1 (0.66) FFAR1FFAR4FAAHEPHX2DGKA
SCHEMBL31290233 0.95 FFAR1 (0.66) FFAR1FFAR4FAAHEPHX2DGKA
SCHEMBL3662597 0.93 FFAR1 (0.63) FFAR1FFAR4FAAHEPHX2DGKA
SCHEMBL26868753 0.92 FFAR1 (0.62) FFAR1FFAR4FAAHEPHX2DGKA
SCHEMBL26868705 0.92 FFAR1 (0.71) FFAR1FFAR4FAAHDGKALPAR1
SCHEMBL30775153 0.92 FFAR1 (0.71) FFAR1FFAR4FAAHDGKALPAR1
SCHEMBL17451093 0.91 EPHX2 (0.65) FFAR1FFAR4FAAHEPHX2DGKA
SCHEMBL2066896 0.91 EPHX2 (0.65) FFAR1FFAR4FAAHEPHX2DGKA

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-9777121-B2 Defoaming agent composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-10-03 US disclosed
US-20160311982-A1 DEFOAMING AGENT COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-10-27 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-20160311982-A1 DEFOAMING AGENT COMPOSITION DEGS1, SGMS1, SGMS2 FFAR1 36/4885FFAR4 264/4885FAAH 647/4885

“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.