SCHEMBL3789503

SCHEMBL3789503

Nc1cc(B(O)O)cc(C2CCCCC2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ENPP2 Q13822 1/20 0.37
BACE1 P56817 2/20 0.35
HIF1A Q16665 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMO O15229 1/20 0.33
ACMSD Q8TDX5 2/20 0.33
GLA P06280 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TDO2 P48775 2/20 0.33
SLC18A3 Q16572 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL3784270 0.98 ALDH1A1 (0.38) ALDH1A1KDM4EENPP2BACE1HIF1A
SCHEMBL3791248 0.95 KDM4E (0.38) ALDH1A1KDM4EENPP2
SCHEMBL3780940 0.91 KDM4E (0.41) ALDH1A1KDM4EENPP2
SCHEMBL3789096 0.89 KMO (0.39) KDM4EBACE1HIF1ASMN1; SMN2KMO
SCHEMBL3790896 0.87 HDAC8 (0.37) KDM4EBACE1HIF1ASMN1; SMN2KMO
SCHEMBL3790025 0.82 ESR2 (0.35) HIF1AKMOACMSDHDAC4HDAC2
SCHEMBL21332407 0.82 BACE1 (0.44) ALDH1A1KDM4EBACE1HIF1ASMN1; SMN2
SCHEMBL10492633 0.80 BACE1 (0.43) ALDH1A1KDM4EBACE1HIF1ASMN1; SMN2
SCHEMBL3787015 0.78 ESR2 (0.33) ALDH1A1KDM4EENPP2
SCHEMBL3787626 0.73 KMO (0.34) KDM4EBACE1HIF1ASMN1; SMN2KMO

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.