SCHEMBL3785016

SCHEMBL3785016

CCCc1cc(B(O)O)ccc1N

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPL P06858 9/20 0.50
LIPG Q9Y5X9 9/20 0.50
CA2 P00918 3/20 0.43
CA1 P00915 2/20 0.43
TRPV1 Q8NER1 1/20 0.41
MGLL Q99685 1/20 0.41
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ENPP2 Q13822 1/20 0.38
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
F11 P03951 1/20 0.34

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
SCHEMBL3786613 0.89 CA1 (0.53) LPLLIPGCA2CA1TRPV1
SCHEMBL3788508 0.85 LPL (0.50) LPLLIPGCA2CA1TRPV1
SCHEMBL3186771 0.85 LPL (0.47) LPLLIPGCA2CA1KDM4E
SCHEMBL3784868 0.79 ENPP2 (0.44) LPLLIPGCA2CA1KDM4E
SCHEMBL3790961 0.75 CA1 (0.53) LPLLIPGCA2CA1TRPV1
SCHEMBL3786850 0.75 LPL (0.48) LPLLIPGCA2CA1TRPV1
SCHEMBL4282818 0.75 TYR (0.46) CA2CA1GABRA1GABRB2GABRA5
SCHEMBL18393729 0.74 LIPG (0.50) LPLLIPGCA2CA1TRPV1
SCHEMBL5380955 0.74 ALDH1A1 (0.45) KDM4EALDH1A1GABRA1GABRB2GABRA5
SCHEMBL146162 0.74 PRKCI (0.42) KDM4EALDH1A1GABRA1GABRB2GABRA5

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 3010/4885CA2 1992/4885

“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.