SCHEMBL2804408

SCHEMBL2804408

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

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 9/20 0.46
NR4A2 P43354 6/20 0.44
CNR2 P34972 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL2804273 0.99 NR4A2 (0.45) PLA2G4ANR4A2CNR2MEN1KMT2A
SCHEMBL2807415 0.93 NR4A2 (0.46) PLA2G4ANR4A2MEN1KMT2ALMNA
SCHEMBL6873834 0.84 LMNA (0.47) PLA2G4ANR4A2MEN1KMT2ALMNA
SCHEMBL8557877 0.76 ABCG2 (0.49)
SCHEMBL8529581 0.76 CPT1A (0.49) KDM4E
SCHEMBL13132299 0.76 NR4A2 (0.49) NR4A2CNR2MEN1KMT2ALMNA
SCHEMBL7392214 0.75 LMNA (0.42) PLA2G4ANR4A2MEN1KMT2ALMNA
SCHEMBL2810904 0.75 NR4A2 (0.54) PLA2G4ANR4A2MEN1KMT2ALMNA
SCHEMBL3931725 0.75 KDM4E (0.50) PLA2G4ANR4A2MEN1KMT2AKDM4E
SCHEMBL8555545 0.75 KDM4E (0.46) MEN1KMT2ALMNAKDM4E

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 3 patents. 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
EP-2215059-A2 NOVEL HETEROARYL-SUBSTITUTED ACETONE DERIVATIVE, SUITABLE FOR INHIBITING PHOSPHOLIPASE A2 Westfälische Wilhelms-Universität Münster (DE) 2010-08-11 EP disclosed
WO-2009040314-A2 NOVEL HETEROARYL-SUBSTITUTED ACETONE DERIVATIVES, SUITABLE FOR INHIBITING PHOSPHOLIPASE A2 Westfälische Wilhelms Universität Münster (DE) 2009-04-02 WO 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 3/4885NR4A2 2170/4885CNR2 60/4885

“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.