SCHEMBL16201812

SCHEMBL16201812

C#CC[C@H]1C(=O)O[C@@H]1CCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.69
PLA2G6 O60733 2/20 0.54
PLA2G4A P47712 1/20 0.54
CTRB1 P17538 1/20 0.46
LYPLA1 O75608 2/20 0.44
LYPLA2 O95372 2/20 0.44
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ABHD16A O95870 1/20 0.37
CYP3A4 P08684 1/20 0.37
F2 P00734 2/20 0.36
PRSS1 P07477 2/20 0.36
KEAP1 Q14145 1/20 0.34

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
SCHEMBL15012874 0.85 FASN (0.81) FASNPLA2G6PLA2G4ACTRB1LYPLA1
SCHEMBL15012876 0.85 FASN (0.81) FASNPLA2G6PLA2G4ACTRB1LYPLA1
SCHEMBL10073526 0.82 FASN (1.00) FASNPLA2G6PLA2G4ACTRB1LYPLA1
SCHEMBL10083649 0.82 FASN (1.00) FASNPLA2G6PLA2G4ACTRB1LYPLA1
SCHEMBL16551934 0.77 FASN (0.68) FASNPLA2G6PLA2G4ACTRB1LYPLA1
SCHEMBL16551964 0.77 FASN (0.68) FASNPLA2G6PLA2G4ACTRB1LYPLA1
SCHEMBL17973348 0.77 FASN (0.68) FASNPLA2G6PLA2G4ACTRB1LYPLA1
SCHEMBL16201800 0.76 FASN (0.41) FASNPLA2G6PLA2G4ALYPLA1LYPLA2
SCHEMBL28541028 0.75 FASN (0.79) FASNPLA2G6PLA2G4ACTRB1LYPLA1
SCHEMBL16551963 0.75 FASN (0.83) FASNPLA2G6PLA2G4ACTRB1LYPLA1

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

“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.