SCHEMBL3784978

SCHEMBL3784978

CC(C)(C)Oc1ccc(B(O)O)cc1N

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 6/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 1/20 0.37
CA2 P00918 3/20 0.34
CA1 P00915 2/20 0.34
TTR P02766 2/20 0.34
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP3A4 P08684 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
KMT2A Q03164 1/20 0.32
KCNH2 Q12809 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL3786020 0.86 ENPP2 (0.37) ENPP2ALDH1A1KDM4ECA2CA1
SCHEMBL3780758 0.83 ENPP2 (0.39) ENPP2CA2CA1TTRLPL
SCHEMBL3191612 0.79 ALDH1A1 (0.53) ENPP2ALDH1A1KDM4ECA2CA1
SCHEMBL20371228 0.79 CA2 (0.38) ENPP2ALDH1A1CA2CA1TTR
Hydrochloric Acid SCHEMBL5799533 0.78 ALDH1A1 (0.55) ENPP2ALDH1A1CA2CA1LMNA
SCHEMBL3785449 0.75 HSD17B10 (0.56) ENPP2ALDH1A1KDM4ELPLLIPG
SCHEMBL12001793 0.75 ALDH1A1 (0.48) ALDH1A1KDM4ELMNAHTTL3MBTL1
SCHEMBL28939320 0.74 ENPP2 (0.46) ENPP2ALDH1A1KDM4ECA2CA1
SCHEMBL18579473 0.73 ALDH1A1 (0.61) ALDH1A1CA2CA1L3MBTL1CYP3A4
SCHEMBL3787529 0.73 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAHTTL3MBTL1

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.