SCHEMBL3785393

SCHEMBL3785393

O=C(c1ccc(C(=O)C(F)(F)F)c(B(O)O)c1)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.46
CES1 P23141 1/20 0.44
MLYCD O95822 10/20 0.42
PLA2G2D Q9UNK4 1/20 0.41

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
SCHEMBL3786793 0.87 ACHE (0.45) ACHECES1MLYCDPLA2G2D
SCHEMBL29952929 0.79 ACHE (0.44) ACHECES1MLYCD
SCHEMBL3789857 0.76 CES1 (0.45) ACHECES1MLYCDPLA2G2D
SCHEMBL1275130 0.75 CES1 (0.48) ACHECES1PLA2G2D
SCHEMBL3714923 0.74 RXRB (0.53) ACHECES1MLYCDPLA2G2D
SCHEMBL28674119 0.72 KDM4E (0.50)
SCHEMBL1046198 0.72 CES1 (0.56) CES1MLYCD
SCHEMBL3787503 0.72 MGLL (0.41) ACHECES1PLA2G2D
SCHEMBL3789805 0.72 CES1 (0.45) ACHECES1MLYCDPLA2G2D
SCHEMBL6740754 0.71 MAPT (0.38) ACHECES1PLA2G2D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 ACHE 295/4885CES1 4009/4885MLYCD 1722/4885

“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.