SCHEMBL3786260

SCHEMBL3786260

CCCCc1cccc(N)c1B(O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 7/20 0.50
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
LPL P06858 6/20 0.39
ALOX5 P09917 1/20 0.38
PTGS2 P35354 1/20 0.38
TLR8 Q9NR97 1/20 0.37
BID P55957 3/20 0.36
MCL1 Q07820 3/20 0.36
BCL2L1 Q07817 2/20 0.36
BAK1 Q16611 2/20 0.36
KAT8 Q9H7Z6 2/20 0.36
CYP2C9 P11712 2/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
EP300 Q09472 1/20 0.36
KAT2A Q92830 1/20 0.36
KAT2B Q92831 1/20 0.36
KAT5 Q92993 1/20 0.36
SAE1 Q9UBE0 1/20 0.36

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
SCHEMBL3786583 0.89 LIPG (0.41) LIPGCA1CA2LPLALOX5
SCHEMBL31075133 0.80 LIPG (0.70) LIPGLPLALOX5PTGS2BID
SCHEMBL3786328 0.77 LIPG (0.61) LIPGCA1CA2LPLALOX5
SCHEMBL4312373 0.77 ALOX5 (0.53) LIPGALOX5PTGS2TLR8BID
SCHEMBL659538 0.76 TLR8 (0.42) LIPGALOX5PTGS2TLR8BID
SCHEMBL29092564 0.76 CYP3A4 (0.37) CYP3A4
SCHEMBL44325 0.75 TLR8 (0.49) LIPGTLR8CYP2C9CYP3A4CYP2D6
SCHEMBL29573660 0.75 TLR8 (0.49) LIPGTLR8CYP2C9CYP3A4CYP2D6
SCHEMBL30002594 0.74 LIPG (0.57) LIPGLPLALOX5PTGS2TLR8
SCHEMBL28361635 0.74 LIPG (0.57) LIPGLPLALOX5PTGS2TLR8

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 LIPG 3010/4885CA1 3273/4885CA2 1992/4885

“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.