SCHEMBL2806882

SCHEMBL2806882

COC(=O)CCCCC(=O)c1cn(CC(O)COc2ccc(Oc3ccccc3)cc2)c2ccc(C(=O)OC)cc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 9/20 0.45
MAPT P10636 5/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
USP2 O75604 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL2807308 0.93 MAPT (0.44) PLA2G4AMAPTPOLBLMNASMN1; SMN2
SCHEMBL2804337 0.86 PLA2G4A (0.58) PLA2G4AMAPTPOLB
SCHEMBL2809726 0.85 PLA2G4A (0.61) PLA2G4A
SCHEMBL2807125 0.85 PLA2G4A (0.57) PLA2G4AMAPTPOLB
SCHEMBL2808266 0.78 PLA2G4A (0.59) PLA2G4AMAPTSMN1; SMN2
SCHEMBL2806883 0.77 PLA2G2A (0.43) PLA2G4AMAPTPOLBLMNASMN1; SMN2
SCHEMBL2804143 0.75 MAPT (0.42) PLA2G4AMAPTPOLBLMNASMN1; SMN2
SCHEMBL2806823 0.74 PLA2G4A (0.54) PLA2G4A
SCHEMBL2806318 0.73 PLA2G4A (0.58) PLA2G4AMAPTPOLBTP53THRB
SCHEMBL18930636 0.72 LMNA (0.67) MAPTPOLBLMNASMN1; SMN2USP2

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 3/4885MAPT 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.