SCHEMBL3790404

SCHEMBL3790404

CCc1cc(B(O)O)c(CC)s1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 2/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.32
LPL P06858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
SELE P16581 1/20 0.31
VCAM1 P19320 1/20 0.31
DAO P14920 1/20 0.31
USP2 O75604 1/20 0.30

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
SCHEMBL3789223 0.77 GAA (0.46) ALDH1A1MAPK1GAAHSD17B10LPL
SCHEMBL6901097 0.70 ALDH1A1 (0.37) ALDH1A1MAPK1GAAHSD17B10SELE
SCHEMBL11077481 0.68 SELE (0.32) ALDH1A1MAPK1GAAHSD17B10SELE
SCHEMBL22789253 0.68 GAA (0.38) ALDH1A1MAPK1GAAHSD17B10SELE
SCHEMBL6967658 0.68 USP2 (0.47) ALDH1A1MAPK1GAAHSD17B10SELE
SCHEMBL6967703 0.68 ALDH1A1 (0.58) ALDH1A1MAPK1GAAHSD17B10SELE
SCHEMBL3784658 0.68 ALDH1A1 (0.37) ALDH1A1MAPK1GAAHSD17B10LPL
SCHEMBL3785228 0.67 GAA (0.38) ALDH1A1MAPK1GAAHSD17B10SELE
SCHEMBL14018717 0.67 ALDH1A1 (0.47) ALDH1A1MAPK1GAAHSD17B10DAO
Hydrochloric Acid SCHEMBL22775101 0.67 GAA (0.37) ALDH1A1MAPK1GAAHSD17B10SELE

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 4339/4885MAPK1 4726/4885GAA 1755/4885

“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.