SCHEMBL3786498

SCHEMBL3786498

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 5/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
CA2 P00918 2/20 0.37
LPL P06858 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
CA1 P00915 1/20 0.36
TRPV1 Q8NER1 3/20 0.35
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
MGLL Q99685 2/20 0.33
TTR P02766 1/20 0.33
CYP1A2 P05177 1/20 0.33
ALOX15 P16050 1/20 0.33
ATP2A2 P16615 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL3784625 0.84 ENPP2 (0.41) ENPP2ALDH1A1KDM4ECA2LPL
SCHEMBL26493748 0.81 CA2 (0.41) ENPP2ALDH1A1KDM4ECA2LPL
SCHEMBL3787045 0.80 MGLL (0.47) ENPP2ALDH1A1KDM4ECA2CA1
SCHEMBL26493741 0.78 CA2 (0.43) ENPP2ALDH1A1KDM4ECA2LPL
SCHEMBL24425082 0.76 TTR (0.50) ENPP2CA2LPLLIPGCA1
SCHEMBL16133572 0.76 MGLL (0.38) ENPP2ALDH1A1CA2LPLLIPG
SCHEMBL24425080 0.74 MGLL (0.45) ENPP2CA2LPLLIPGCA1
SCHEMBL9133129 0.74 MGLL (0.37) ENPP2ALDH1A1KDM4ECA2CA1
SCHEMBL28939320 0.74 ENPP2 (0.46) ENPP2ALDH1A1KDM4ECA2LPL
SCHEMBL29484231 0.73 ENPP2 (0.50) ENPP2ALDH1A1KDM4ECA2LPL

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 1920/4885ALDH1A1 4339/4885KDM4E 2606/4885

“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.