SCHEMBL3793136

SCHEMBL3793136

CCc1cccc(B(O)O)c1N

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.46
GABRB2 P47870 4/20 0.46
LIPG Q9Y5X9 2/20 0.44
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
LPL P06858 1/20 0.34
ELANE P08246 1/20 0.34
ATP4A P20648 1/20 0.34
ATP4B P51164 1/20 0.34
ENPP2 Q13822 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL3790530 0.84 LIPG (0.50) GABRA1GABRB2LIPGLPLELANE
SCHEMBL3787657 0.83 LIPG (0.40) GABRA1GABRB2LIPGALDH1A1KDM4E
SCHEMBL3786328 0.81 LIPG (0.61) LIPGLPLELANE
SCHEMBL1332031 0.79 GABRA1 (0.55) GABRA1GABRB2ALDH1A1KDM4EELANE
SCHEMBL262868 0.79 GABRA1 (0.55) GABRA1GABRB2ALDH1A1KDM4EELANE
SCHEMBL29468961 0.78 LIPG (0.61) GABRA1GABRB2LIPGALDH1A1LPL
SCHEMBL410387 0.78 LIPG (0.61) GABRA1GABRB2LIPGALDH1A1LPL
SCHEMBL28967677 0.77 GABRA1 (0.52) GABRA1GABRB2ALDH1A1KDM4EELANE
SCHEMBL30319989 0.77 GABRA1 (0.52) GABRA1GABRB2ALDH1A1KDM4EELANE
Hydrochloric Acid SCHEMBL625383 0.77 GABRA1 (0.52) GABRA1GABRB2ALDH1A1KDM4EELANE

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 GABRA1 991/4885GABRB2 561/4885LIPG 3010/4885

“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.