SCHEMBL3786679

SCHEMBL3786679

CCc1cc(N)cc(B(O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPL P06858 8/20 0.48
LIPG Q9Y5X9 8/20 0.48
ENPP2 Q13822 4/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
F11 P03951 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
MGLL Q99685 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
TRPA1 O75762 1/20 0.30

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
SCHEMBL21787203 0.84 LPL (0.58) LPLLIPGENPP2CA1CA2
SCHEMBL3791528 0.84 LPL (0.58) LPLLIPGENPP2CA1CA2
SCHEMBL3793759 0.84 LPL (0.52) LPLLIPGENPP2KDM4EALDH1A1
SCHEMBL3787205 0.81 CA1 (0.55) LPLLIPGENPP2KDM4EALDH1A1
SCHEMBL3784998 0.81 ENPP2 (0.50) LPLLIPGENPP2KDM4EALDH1A1
SCHEMBL3784543 0.77 LPL (0.50) LPLLIPGENPP2CA1CA2
SCHEMBL7042571 0.77 NOS3 (0.41) KDM4EALDH1A1CA2NOS3NOS1
SCHEMBL397098 0.77 NOS3 (0.41) KDM4EALDH1A1CA2NOS3NOS1
SCHEMBL190209 0.77 ENPP2 (0.56) LPLLIPGENPP2KDM4EALDH1A1
SCHEMBL10799509 0.76 LTA4H (0.50) LPLLIPGENPP2KDM4EALDH1A1

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 LPL 3816/4885LIPG 3010/4885ENPP2 1920/4885

“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.