SCHEMBL3786687

SCHEMBL3786687

CCCOc1cccc(B(O)O)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.46
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
LIPE Q05469 1/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
ATM Q13315 1/20 0.41
ENPP2 Q13822 2/20 0.40
TLR8 Q9NR97 1/20 0.40

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
SCHEMBL3790374 0.92 CYP1A2 (0.54) MCHR1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL3790919 0.86 ALDH1A1 (0.50) MAPTMEN1KMT2AALDH1A1LIPE
SCHEMBL7928280 0.85 MCHR1 (0.58) MCHR1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL1684575 0.82 LIPE (0.59) MCHR1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL29952366 0.82 LIPE (0.59) MCHR1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL3784042 0.81 CHRM2 (0.46) MCHR1CYP1A2CYP2C9CYP2C19LIPE
SCHEMBL29956521 0.79 ENPP2 (0.44) MCHR1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL3785252 0.78 MCHR1 (0.44) MCHR1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL11261747 0.78 CYP1A2 (0.58) MCHR1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL30967549 0.78 CYP1A2 (0.58) MCHR1CYP1A2CYP2C9CYP2C19MAPT

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 MCHR1 4010/4885CYP1A2 170/4885CYP2C9 157/4885

“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.