SCHEMBL3789913

SCHEMBL3789913

Nc1ccc(B(O)O)c(Oc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.47
MAOA P21397 1/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NLRP3 Q96P20 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
BRD4 O60885 2/20 0.42
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MITF O75030 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL3789064 0.82 CA1 (0.55) MAOBMAOACA1CA2ENPP2
SCHEMBL19990170 0.80 MAOA (0.56) MAOBMAOAMEN1KMT2ANPC1
SCHEMBL10932722 0.78 MAOA (0.54) MAOBMAOAMEN1KMT2ANPC1
SCHEMBL29889491 0.77 ENPP2 (0.59) KMT2ACA1CA2ALDH1A1GAA
SCHEMBL5441304 0.77 MAOA (0.58) MAOBMAOAMEN1KMT2ANPC1
SCHEMBL20600 0.77 ENPP2 (0.59) KMT2ACA1CA2ALDH1A1GAA
SCHEMBL20286596 0.77 MAOA (0.52) MAOBMAOAMEN1KMT2ANPC1
SCHEMBL31613229 0.76 MAOA (0.56) MAOBMAOAMEN1KMT2ANPC1
SCHEMBL7774904 0.76 MAOA (0.56) MAOBMAOAMEN1KMT2ANPC1
SCHEMBL3793173 0.76 ENPP2 (0.52) ALDH1A1SMN1; SMN2GAAMAPTENPP2

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 MAOB 101/4885MAOA 348/4885MEN1 174/4885

“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.