SCHEMBL2805611

SCHEMBL2805611

COC(=O)CCCCC(=O)c1cn(CC2CO2)c2ccc(C(=O)OC)cc12

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.50
CNR1 P21554 5/20 0.42
PLA2G4A P47712 7/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SCARB1 Q8WTV0 2/20 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
SCHEMBL2804380 0.99 CNR2 (0.51) CNR2CNR1PLA2G4AGAAKDM4E
SCHEMBL2804613 0.83 CNR2 (0.57) CNR2CNR1PLA2G4ASCARB1
SCHEMBL2808362 0.76 CNR2 (0.39) CNR2CNR1KDM4EALDH1A1MAPT
SCHEMBL2808266 0.73 PLA2G4A (0.59) PLA2G4AGAAMAPT
SCHEMBL2809726 0.73 PLA2G4A (0.61) PLA2G4A
SCHEMBL2804383 0.72 GAA (0.40) CNR2GAAKDM4EALDH1A1MAPT
SCHEMBL28097123 0.72 NR4A2 (0.65) CNR2CNR1GAAALDH1A1MAPT
SCHEMBL2806882 0.72 PLA2G4A (0.45) PLA2G4AKDM4EALDH1A1MAPTHSD17B10
SCHEMBL2804408 0.71 PLA2G4A (0.46) CNR2PLA2G4AKDM4E
SCHEMBL3656961 0.71 MEN1 (0.44) GAAKDM4EALDH1A1MAPTHSD17B10

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 CNR2 60/4885CNR1 287/4885PLA2G4A 3/4885

“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.