SCHEMBL3789975

SCHEMBL3789975

CCOc1cc(OCC)cc(B(O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.44
ENPP2 Q13822 3/20 0.41
LTA4H P09960 2/20 0.38
PTGS2 P35354 1/20 0.38
LPL P06858 2/20 0.37
LIPG Q9Y5X9 2/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
PARP10 Q53GL7 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
ESR1 P03372 2/20 0.35
AHR P35869 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35

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
SCHEMBL31437777 0.92 ENPP2 (0.48) NQO1ENPP2CA1CA2CYP3A4
SCHEMBL12982504 0.88 NQO1 (0.38) NQO1ENPP2LTA4HLPLLIPG
SCHEMBL16687407 0.86 NQO1 (0.37) NQO1ENPP2LTA4HTSHRTDP1
SCHEMBL14119938 0.86 MAPT (0.38) NQO1ENPP2LTA4HTSHRTDP1
SCHEMBL1979081 0.86 FGFR1 (0.41) NQO1ENPP2LTA4HPTGS2TSHR
SCHEMBL3790973 0.86 TP53 (0.47) NQO1ENPP2TSHRTDP1TP53
SCHEMBL18770678 0.86 L3MBTL1 (0.43) NQO1ENPP2LPLLIPGMEN1
SCHEMBL3790617 0.83 LTA4H (0.41) ENPP2LTA4HPTGS2LPLLIPG
SCHEMBL16687413 0.82 ALDH1A1 (0.41) NQO1ESR1AHRTUBB4ATUBB
SCHEMBL29950784 0.82 RXRA (0.47) NQO1MEN1KMT2A

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 NQO1 291/4885ENPP2 1920/4885LTA4H 2263/4885

“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.