SCHEMBL3789908

SCHEMBL3789908

CCOC(=O)c1ccc(C(=O)OCC)c(B(O)ON)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.49
CA1 P00915 5/20 0.49
CA2 P00918 5/20 0.49
CA7 P43166 5/20 0.49
CA9 Q16790 5/20 0.49
CA14 Q9ULX7 5/20 0.49
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAOA P21397 1/20 0.47
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
HSD17B2 P37059 1/20 0.44
TSHR P16473 2/20 0.44
ALDH1A1 P00352 6/20 0.43
HSD17B10 Q99714 3/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL3788252 0.89 CA1 (0.49) CA12CA1CA2CA7CA9
SCHEMBL3782024 0.81 RAB9A (0.52) LMNACYP3A4TSHRALDH1A1HPGD
SCHEMBL3784783 0.81 KDM4E (0.57) CA12CA1CA2CA7CA9
SCHEMBL3781388 0.77 CA12 (0.40) CA12CA1CA2CA9CA14
SCHEMBL3783533 0.77 TSHR (0.50) CA12CA1CA2CA7CA9
SCHEMBL3045083 0.76 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL37983114 0.76 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL321387 0.76 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL29843135 0.76 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL2896486 0.75 ALDH1A1 (0.62) CA12CA1CA2CA7CA9

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 CA12 1438/4885CA1 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.