SCHEMBL16201820

SCHEMBL16201820

C=CCCCCCCCC(O)C(CCc1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
FAAH O00519 3/20 0.38
TRPV1 Q8NER1 2/20 0.38
MGLL Q99685 1/20 0.38
S1PR2 O95136 1/20 0.37
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL16201791 1.00 TRPA1 (0.41) TRPA1FAAHTRPV1MGLLS1PR2
SCHEMBL16201793 0.95 TRPA1 (0.41) TRPA1FAAHTRPV1MGLLS1PR2
SCHEMBL15004812 0.95 TRPA1 (0.41) TRPA1FAAHTRPV1MGLLS1PR2
SCHEMBL16201807 0.86 CASP1 (0.43) TRPA1FAAHMGLL
SCHEMBL16201794 0.84 FAAH (0.39) TRPA1FAAHTRPV1MGLLS1PR2
SCHEMBL15005076 0.84 FAAH (0.39) TRPA1FAAHTRPV1MGLLS1PR2
SCHEMBL15012477 0.83 TRPA1 (0.41) TRPA1FAAHTRPV1MGLLS1PR2
SCHEMBL15012479 0.83 TRPA1 (0.41) TRPA1FAAHTRPV1MGLLS1PR2
SCHEMBL16201780 0.83 CYP2C19 (0.47) PPARGPPARA
SCHEMBL16201797 0.81 FAAH (0.40) FAAHMGLL

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-20140323457-A1 BETA-O/S/N FATTY ACID BASED COMPOUNDS AS ANTIBACTERIAL AND ANTIPROTOZOAL AGENTS Technische Universität München (DE) 2014-10-30 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-20140323457-A1 BETA-O/S/N FATTY ACID BASED COMPOUNDS AS ANTIBACTERIAL AND ANTIPROTOZOAL AGENTS FASN, DEGS1, EBP TRPA1 2071/4885FAAH 344/4885TRPV1 1996/4885

“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.