SCHEMBL3780926

SCHEMBL3780926

Nc1cc(B(O)O)ccc1CO

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 7/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
F11 P03951 1/20 0.38
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
TTR P02766 1/20 0.34
TSHR P16473 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
SCHEMBL3786850 0.83 LPL (0.48) ENPP2KDM4EALDH1A1CA1CA2
SCHEMBL3784868 0.83 ENPP2 (0.44) ENPP2KDM4EALDH1A1CA1CA2
SCHEMBL3780619 0.80 ENPP2 (0.48) ENPP2KDM4EALDH1A1CA1CA2
SCHEMBL3788508 0.79 LPL (0.50) ENPP2KDM4EALDH1A1CA1CA2
SCHEMBL3790961 0.76 CA1 (0.53) ENPP2KDM4EALDH1A1CA1CA2
SCHEMBL27208012 0.76 ENPP2 (0.40) ENPP2KDM4EALDH1A1CA1CA2
SCHEMBL14120483 0.75 ENPP2 (0.44) ENPP2CA1CA2LPLLIPG
SCHEMBL29957391 0.75 ENPP2 (0.44) ENPP2CA1CA2LPLLIPG
SCHEMBL17236432 0.75 TTR (0.52) ENPP2CA1CA2F11LPL
SCHEMBL15738778 0.75 ENPP2 (0.44) ENPP2CA1CA2F11LPL

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 1920/4885KDM4E 2606/4885ALDH1A1 4339/4885

“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.