SCHEMBL3786865

SCHEMBL3786865

CC(C)c1ccc(B(O)O)cc1N

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 6/20 0.41
CA2 P00918 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CA1 P00915 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LPL P06858 2/20 0.37
LIPG Q9Y5X9 2/20 0.37
TRPA1 O75762 1/20 0.35
LMNA P02545 1/20 0.35
CHRM1 P11229 1/20 0.35
SLC6A2 P23975 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
GAA P10253 1/20 0.34
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.34
HIF1A Q16665 1/20 0.34
TTR P02766 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
SCHEMBL3792550 0.84 ENPP2 (0.41) ENPP2CA2ALDH1A1CA1KDM4E
SCHEMBL5308489 0.78 CA2 (0.43) ENPP2CA2ALDH1A1CA1LPL
SCHEMBL16379257 0.76 CA2 (0.41) ENPP2CA2CA1LPLLIPG
Hydrochloric Acid SCHEMBL5367708 0.75 ALDH1A1 (0.42) ENPP2CA2ALDH1A1CA1KDM4E
SCHEMBL28939320 0.74 ENPP2 (0.46) ENPP2CA2ALDH1A1CA1KDM4E
SCHEMBL14754916 0.73 CA2 (0.43) ENPP2CA2CA1LPLLIPG
SCHEMBL29484231 0.73 ENPP2 (0.50) ENPP2CA2ALDH1A1CA1KDM4E
SCHEMBL28744374 0.73 ENPP2 (0.50) ENPP2CA2ALDH1A1CA1KDM4E
SCHEMBL29127764 0.73 ENPP2 (0.44) ENPP2CA2CA1GAA
SCHEMBL654884 0.72 CA1 (0.46) CA2ALDH1A1CA1TRPA1LMNA

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 1920/4885CA2 1992/4885ALDH1A1 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.