SCHEMBL3788231

SCHEMBL3788231

Nc1cc(B(O)O)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
HSD17B10 Q99714 4/20 0.48
ALOX15 P16050 4/20 0.48
ENPP2 Q13822 3/20 0.48
ALOX12 P18054 3/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 3/20 0.46
GAA P10253 6/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 2/20 0.43
RECQL P46063 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
HSP90AA1 P07900 1/20 0.43

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
SCHEMBL3791258 0.81 ALOX15 (0.52) ALDH1A1HSD17B10ALOX15ENPP2KDM4E
SCHEMBL29484231 0.80 ENPP2 (0.50) ALDH1A1ALOX15ENPP2SMN1; SMN2KDM4E
SCHEMBL28744374 0.80 ENPP2 (0.50) ALDH1A1ALOX15ENPP2SMN1; SMN2KDM4E
SCHEMBL1277359 0.77 ENPP2 (0.50) ALDH1A1ENPP2KDM4ECA1CA2
SCHEMBL28939320 0.76 ENPP2 (0.46) ALDH1A1ENPP2KDM4ECA1CA2
SCHEMBL1529238 0.74 CA1 (0.52) ALDH1A1ENPP2KDM4EGAACA1
SCHEMBL3790464 0.74 ENPP2 (0.45) ALDH1A1ENPP2KDM4ECA1CA2
SCHEMBL391536 0.74 ENPP2 (0.45) ALDH1A1ENPP2KDM4ECA1CA2
SCHEMBL189833 0.74 ALDH1A1 (0.50) ALDH1A1ENPP2SMN1; SMN2MAPK1KDM4E
SCHEMBL3790178 0.74 ENPP2 (0.41) ALDH1A1ENPP2KDM4ECA1CA2

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 4339/4885HSD17B10 1100/4885ALOX15 1941/4885

“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.