SCHEMBL3789580

SCHEMBL3789580

Nc1cc(O)cc(B(O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.48
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 1/20 0.48
TTR P02766 2/20 0.38
CA14 Q9ULX7 3/20 0.37
CA7 P43166 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
THRB P10828 2/20 0.33
BACE1 P56817 1/20 0.33
CA6 P23280 2/20 0.32
CA3 P07451 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL190209 0.84 ENPP2 (0.56) ENPP2ALDH1A1KDM4ECA14CA7
SCHEMBL16426139 0.81 ENPP2 (0.55) ENPP2ALDH1A1KDM4ETTRCA14
SCHEMBL1277384 0.81 ENPP2 (0.55) ENPP2ALDH1A1TTRCA14CA7
SCHEMBL63371 0.74
SCHEMBL62693 0.74
SCHEMBL24661957 0.73 ALDH1A1 (0.46) ENPP2ALDH1A1KDM4ECA1CA2
SCHEMBL3786835 0.73 ALDH1A1 (0.57) ENPP2ALDH1A1KDM4ECA2
SCHEMBL3790128 0.73 KDM4E (0.46) ENPP2ALDH1A1KDM4E
SCHEMBL1289919 0.73 KDM4E (0.46) ENPP2ALDH1A1KDM4ECA12CA1
SCHEMBL30006611 0.73 KDM4E (0.46) ENPP2ALDH1A1KDM4ECA12CA1

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 ENPP2 1920/4885ALDH1A1 4339/4885KDM4E 2606/4885

“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.