SCHEMBL16201797

SCHEMBL16201797

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.40
CASP1 P29466 2/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MGLL Q99685 2/20 0.39
GAA P10253 1/20 0.38
RECQL P46063 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL16201793 0.86 TRPA1 (0.41) FAAHMGLL
SCHEMBL15004812 0.86 TRPA1 (0.41) FAAHMGLL
SCHEMBL15005076 0.84 FAAH (0.39) FAAHMGLLLMNA
SCHEMBL16201794 0.84 FAAH (0.39) FAAHMGLLLMNA
SCHEMBL16201781 0.84 TSHR (0.41) ALDH1A1CYP3A4SMN1; SMN2MAPTHPGD
SCHEMBL16201772 0.84 TSHR (0.41) ALDH1A1CYP3A4SMN1; SMN2MAPTHPGD
SCHEMBL16201807 0.83 CASP1 (0.43) FAAHCASP1CYP3A4MGLL
SCHEMBL16201791 0.81 TRPA1 (0.41) FAAHMGLL
SCHEMBL16201820 0.81 TRPA1 (0.41) FAAHMGLL
SCHEMBL6822889 0.81 FAAH (0.44) FAAHMAPT

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 FAAH 344/4885CASP1 1398/4885ALDH1A1 2407/4885

“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.