SCHEMBL2806318

SCHEMBL2806318

CCCCCCCCc1ccc(OCC(O)Cn2cc(C(=O)c3ccc(C(=O)OC)cc3)c3cc(C(=O)OC)ccc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 17/20 0.58
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
S1PR1 P21453 1/20 0.45
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL2807125 0.89 PLA2G4A (0.57) PLA2G4AMAPTPOLB
SCHEMBL2804337 0.88 PLA2G4A (0.58) PLA2G4AMAPTPOLB
SCHEMBL2810890 0.85 PLA2G4A (0.80) PLA2G4A
SCHEMBL3920399 0.84 PLA2G4A (0.58) PLA2G4AS1PR1
SCHEMBL3931705 0.82 PLA2G4A (0.58) PLA2G4AMAPTPOLBS1PR1TP53
SCHEMBL3926819 0.80 PLA2G4A (0.57) PLA2G4AS1PR1
SCHEMBL2806320 0.80 PLA2G4A (0.52) PLA2G4AMAPTTP53THRB
SCHEMBL2806823 0.79 PLA2G4A (0.54) PLA2G4A
SCHEMBL3920460 0.78 PLA2G4A (0.59) PLA2G4AS1PR1
SCHEMBL3924250 0.75 CNR2 (0.46) PLA2G4AS1PR1

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-20100240718-A1 NOVEL HETEROARYL-SUBSTITUTED ACETONE DERIVATIVE, SUITABLE FOR INHIBITING PHOSPHOLIPASE A2 WESTFALISCHE WILHELMS UNIVERSITÄT MÜNSTER (DE) 2010-09-23 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-20100240718-A1 NOVEL HETEROARYL-SUBSTITUTED ACETONE DERIVATIVE, SUITABLE FOR INHIBITING PHOSPHOLIPASE A2 PLD2, PLA2G1B, PLA2G4A PLA2G4A 3/4885MAPT 4523/4885POLB 3188/4885

“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.