SCHEMBL3786398

SCHEMBL3786398

CC(C)(C)c1ccc(N)cc1B(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 2/20 0.38
ENPP2 Q13822 1/20 0.38
MAPT P10636 3/20 0.34
ALOX15 P16050 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 1/20 0.34
ATP2A2 P16615 1/20 0.34
ATP2A3 Q93084 1/20 0.34
TSHR P16473 2/20 0.34
CASP1 P29466 2/20 0.34
CYP3A4 P08684 1/20 0.34
PDE10A Q9Y233 1/20 0.34
NR1H4 Q96RI1 2/20 0.34
GAA P10253 2/20 0.33
NR1I2 O75469 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33
MIF P14174 1/20 0.33
TYR P14679 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
SCHEMBL23088818 0.86 ALDH1A1 (0.36) ALDH1A1KDM4EENPP2SMN1; SMN2TSHR
SCHEMBL3783736 0.83 ALDH1A1 (0.38) ALDH1A1KDM4EENPP2MAPTALOX15
SCHEMBL12475362 0.82 TSHR (0.50) ALDH1A1KDM4EENPP2TSHRCASP1
SCHEMBL10015449 0.77 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTALOX15SMN1; SMN2
SCHEMBL27277124 0.75 ALDH1A1 (0.34) ALDH1A1KDM4EMAPTALOX15SMN1; SMN2
SCHEMBL24425180 0.75 PTGS1 (0.41) ALDH1A1KDM4EMAPTALOX15SMN1; SMN2
SCHEMBL24425183 0.75 MAPK1 (0.39) ALDH1A1KDM4EENPP2MAPTALOX15
SCHEMBL30987853 0.75 TSHR (0.44) ALDH1A1KDM4EMAPTALOX15SMN1; SMN2
SCHEMBL2379371 0.75 TSHR (0.44) ALDH1A1KDM4EMAPTALOX15SMN1; SMN2
SCHEMBL396982 0.74 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTALOX15SMN1; SMN2

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 ALDH1A1 4339/4885KDM4E 2606/4885ENPP2 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.