SCHEMBL2804143

SCHEMBL2804143

COCC(C(=O)O)C(=O)c1cn(CC(O)COc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)c2ccc(C(=O)OC)cc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
POLB P06746 1/20 0.42
PLA2G4A P47712 3/20 0.41
CYP2D6 P10635 3/20 0.40
SCN1A P35498 2/20 0.39
SCN5A Q14524 2/20 0.39
SCN9A Q15858 2/20 0.39
AKR1C3 P42330 2/20 0.39
LMNA P02545 4/20 0.38
USP2 O75604 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
AKR1C2 P52895 1/20 0.37
CACNA1G O43497 1/20 0.37
KCNH2 Q12809 1/20 0.37
ALDH1A1 P00352 1/20 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
SCHEMBL2807308 0.70 MAPT (0.44) MAPTPOLBPLA2G4ALMNAUSP2
SCHEMBL2806777 0.70 PLA2G4A (0.52) PLA2G4AAKR1C3LMNA
SCHEMBL2806998 0.68 AKR1C3 (0.39) POLBPLA2G4AAKR1C3LMNASMN1; SMN2
SCHEMBL2804337 0.67 PLA2G4A (0.58) MAPTPOLBPLA2G4A
SCHEMBL11787734 0.65 ALDH1A1 (0.49) ALDH1A1
SCHEMBL1782842 0.65 LMNA (0.69) MAPTLMNASMN1; SMN2
SCHEMBL18930636 0.65 LMNA (0.67) MAPTPOLBCYP2D6LMNAUSP2
SCHEMBL3920399 0.64 PLA2G4A (0.58) PLA2G4A
SCHEMBL2805787 0.63 PLA2G4A (0.66) PLA2G4A
SCHEMBL31378109 0.61 KCNH2 (0.47) PLA2G4ASCN1ASCN5ASCN9AAKR1C3

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 MAPT 4523/4885POLB 3188/4885PLA2G4A 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.