SCHEMBL3786583

SCHEMBL3786583

CCCc1cccc(N)c1B(O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 7/20 0.41
LPL P06858 6/20 0.37
DAO P14920 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
PIK3CA P42336 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ENPP2 Q13822 1/20 0.31
ALOX5 P09917 1/20 0.30
PTGS2 P35354 1/20 0.30
IAPP P10997 1/20 0.30

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
SCHEMBL3786260 0.89 LIPG (0.50) LIPGLPLCYP3A4CA1CA2
SCHEMBL29092564 0.79 CYP3A4 (0.37) CYP3A4TSHRPIK3CAKDM4EALDH1A1
SCHEMBL28592625 0.77 PDCD1 (0.46) LIPGLPLALDH1A1
SCHEMBL3790530 0.76 LIPG (0.50) LIPGLPLDAOGABRA1GABRB2
SCHEMBL5595014 0.75 GABRA1 (0.46) DAOGABRA1GABRB2ALOX5PTGS2
SCHEMBL829785 0.74 CD44 (0.44) DAOGABRA1GABRB2CYP3A4TSHR
SCHEMBL29484088 0.74 CD44 (0.44) DAOGABRA1GABRB2CYP3A4TSHR
SCHEMBL29443967 0.73 CYP3A4 (0.43) LIPGCYP3A4TSHRPIK3CACYP1A2
SCHEMBL43944 0.73 CYP3A4 (0.43) LIPGCYP3A4TSHRPIK3CACYP1A2
SCHEMBL411734 0.72 NOS2 (0.37) DAOGABRA1GABRB2CYP3A4TSHR

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 3010/4885LPL 3816/4885DAO 277/4885

“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.