SCHEMBL3786309

SCHEMBL3786309

Nc1cc(B(O)O)ccc1C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
NUDT1 P36639 1/20 0.36
BACE1 P56817 1/20 0.36
HIF1A Q16665 1/20 0.36
TDO2 P48775 2/20 0.35
EPHX1 P07099 1/20 0.35
FEN1 P39748 1/20 0.34
HSP90AA1 P07900 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
CEL P19835 1/20 0.33
KMO O15229 1/20 0.33
F11 P03951 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL3787449 0.98 ENPP2 (0.41) ENPP2KDM4EALDH1A1NUDT1BACE1
SCHEMBL3791170 0.95 ENPP2 (0.41) ENPP2KDM4EALDH1A1HIF1AEPHX1
SCHEMBL3784565 0.91 ENPP2 (0.44) ENPP2KDM4EALDH1A1F11CA1
SCHEMBL3788528 0.86 BACE1 (0.36) ENPP2KDM4EALDH1A1NUDT1BACE1
SCHEMBL3786297 0.84 ENPP2 (0.37) ENPP2KDM4EALDH1A1NUDT1BACE1
SCHEMBL3783481 0.84 HIF1A (0.38) ENPP2KDM4EALDH1A1NUDT1BACE1
SCHEMBL3781061 0.82 ENPP2 (0.38) ENPP2KDM4EALDH1A1NUDT1BACE1
SCHEMBL3790596 0.81 ENPP2 (0.37) ENPP2KDM4EALDH1A1NUDT1BACE1
SCHEMBL25447109 0.79 OPRL1 (0.40) ENPP2NUDT1BACE1HIF1AFEN1
SCHEMBL5047801 0.78 ENPP2 (0.38) ENPP2KDM4EALDH1A1HIF1ACA1

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 1920/4885KDM4E 2606/4885ALDH1A1 4339/4885

“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.