SCHEMBL3781684

SCHEMBL3781684

Nc1cc(O)ccc1B(O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 3/20 0.48
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
ENPP2 Q13822 3/20 0.39
ALDH1A1 P00352 6/20 0.36
ALOX15 P16050 4/20 0.36
HSD17B10 Q99714 3/20 0.36
CYP3A4 P08684 2/20 0.36
THRB P10828 2/20 0.36
HIF1A Q16665 2/20 0.36
CA3 P07451 1/20 0.36
CA6 P23280 1/20 0.36
CASP1 P29466 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
PLAU P00749 1/20 0.35
RECQL P46063 1/20 0.34
ESR2 Q92731 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
SCHEMBL3791253 0.81 CA14 (0.43) CA14CA12CA1CA2CA7
SCHEMBL14287217 0.78 CASP1 (0.48) CA1CA2ENPP2ALDH1A1ALOX15
SCHEMBL3784363 0.76 ALOX15 (0.54) CA1CA2ALDH1A1ALOX15HSD17B10
SCHEMBL31589865 0.76 ALOX15 (0.54) CA1CA2ALDH1A1ALOX15HSD17B10
SCHEMBL28939320 0.76 ENPP2 (0.46) CA1CA2ENPP2ALDH1A1KDM4E
SCHEMBL3791591 0.75 TYR (0.42) CA14CA12CA1CA2CA7
SCHEMBL30381231 0.75 TYR (0.42) CA14CA12CA1CA2CA7
SCHEMBL3781322 0.74 ALDH1A1 (0.44) CA14CA9ALDH1A1CA3CA6
SCHEMBL19475366 0.74 CA1 (0.41) CA1CA2ALDH1A1ALOX15TDP1
SCHEMBL3188815 0.74 CYP3A4 (0.52) ENPP2ALDH1A1ALOX15HSD17B10CYP3A4

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 CA14 1691/4885CA12 1438/4885CA1 3273/4885

“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.