SCHEMBL16201811

SCHEMBL16201811

C=CCCCCCCCC1C(=O)O[C@@H]1Cc1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G6 O60733 2/20 0.51
PLA2G4A P47712 1/20 0.51
FASN P49327 1/20 0.50
CTRB1 P17538 1/20 0.48
DAGLA Q9Y4D2 3/20 0.39
F2 P00734 4/20 0.38
PRSS1 P07477 2/20 0.38
LYPLA1 O75608 2/20 0.36
LYPLA2 O95372 2/20 0.36
ABHD16A O95870 1/20 0.36
TLR9 Q9NR96 1/20 0.35
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ELANE P08246 2/20 0.33
CTSG P08311 1/20 0.33

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
SCHEMBL15012623 1.00 PLA2G6 (0.51) PLA2G6PLA2G4AFASNCTRB1DAGLA
SCHEMBL15012624 1.00 PLA2G6 (0.51) PLA2G6PLA2G4AFASNCTRB1DAGLA
SCHEMBL12370960 0.88 PLA2G6 (0.60) PLA2G6PLA2G4AFASNCTRB1DAGLA
SCHEMBL16201802 0.88 PLA2G6 (0.60) PLA2G6PLA2G4AFASNCTRB1DAGLA
SCHEMBL16194492 0.87 PLA2G6 (0.62) PLA2G6PLA2G4AFASNCTRB1DAGLA
SCHEMBL16194493 0.87 PLA2G6 (0.62) PLA2G6PLA2G4AFASNCTRB1DAGLA
SCHEMBL16201817 0.85 PLA2G6 (0.56) PLA2G6PLA2G4AFASNCTRB1DAGLA
SCHEMBL12395555 0.81 DAGLA (0.44) PLA2G6PLA2G4ADAGLALYPLA1LYPLA2
SCHEMBL19359114 0.77 PLA2G6 (0.44) PLA2G6PLA2G4AFASNLYPLA1LYPLA2
SCHEMBL16551913 0.76 PLA2G6 (0.54) PLA2G6PLA2G4ADAGLALYPLA1LYPLA2

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 PLA2G6 917/4885PLA2G4A 1572/4885FASN 1/4885

“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.