SCHEMBL3783736

SCHEMBL3783736

CC(C)(C)c1cc(N)ccc1B(O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
TSHR P16473 2/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
ENPP2 Q13822 1/20 0.38
ALOX15 P16050 2/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
ATP2A2 P16615 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ATP2A3 Q93084 1/20 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
NR1I2 O75469 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C9 P11712 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
SCHEMBL23088814 0.86 TSHR (0.36) ALDH1A1KDM4ETSHRGLAPOLB
SCHEMBL3786398 0.83 ALDH1A1 (0.38) ALDH1A1KDM4ETSHRGLAPOLB
SCHEMBL3785258 0.82 TSHR (0.55) ALDH1A1KDM4ETSHRGLAPOLB
SCHEMBL8925344 0.77 ALDH1A1 (0.59) ALDH1A1KDM4ETSHRPOLBGAA
SCHEMBL27201659 0.77 ALDH1A1 (0.45) ALDH1A1KDM4ETSHRGAAALOX15
SCHEMBL24425189 0.75 ENPP2 (0.38) ALDH1A1KDM4ETSHRGAAENPP2
SCHEMBL24425181 0.75 PTGS1 (0.41) ALDH1A1KDM4ETSHRPOLBALOX15
SCHEMBL30987853 0.75 TSHR (0.44) ALDH1A1KDM4ETSHRGLAPOLB
SCHEMBL2379371 0.75 TSHR (0.44) ALDH1A1KDM4ETSHRGLAPOLB
SCHEMBL2874961 0.74 ALDH1A1 (0.61) ALDH1A1KDM4ETSHRGAAALOX15

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 2606/4885TSHR 1688/4885

“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.