SCHEMBL3785380

SCHEMBL3785380

COC(=O)c1ccc(B(O)ON)c(C(=O)OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.53
ALDH1A1 P00352 9/20 0.53
MAPT P10636 6/20 0.53
HPGD P15428 6/20 0.53
HSD17B10 Q99714 4/20 0.53
GLA P06280 1/20 0.53
GAA P10253 1/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
ATM Q13315 1/20 0.53
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
XDH P47989 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 3/20 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
SCHEMBL3784783 0.88 KDM4E (0.57) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL14829748 0.85 KDM4E (0.56) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL3788252 0.81 CA1 (0.49) KDM4EALDH1A1MAPTHSD17B10CA12
SCHEMBL3784664 0.81 CA12 (0.40) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL16095509 0.75 TDP1 (0.57) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL3786688 0.74 HTR2A (0.31) KDM4E
SCHEMBL126043 0.74 KDM4E (0.69) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL29492994 0.74 KDM4E (0.69) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL629923 0.73 KDM4E (0.64) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL29957691 0.73 KDM4E (0.64) KDM4EALDH1A1MAPTHPGDHSD17B10

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 KDM4E 2606/4885ALDH1A1 4339/4885MAPT 3312/4885

“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.