SCHEMBL3790679

SCHEMBL3790679

Nc1ccccc1-c1c(N)cccc1Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
BRD4 O60885 2/20 0.47
ALDH1A1 P00352 3/20 0.46
GAA P10253 3/20 0.46
ADORA2A P29274 2/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DPP4 P27487 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAOB P27338 1/20 0.41
MAOA P21397 1/20 0.41
HRH1 P35367 1/20 0.41
RCE1 Q9Y256 1/20 0.41
CTNNB1 P35222 1/20 0.41
PTPRC P08575 1/20 0.40
LTA4H P09960 1/20 0.39

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
SCHEMBL3789240 0.83 NCOA1 (0.49) NCOA1NCOA3BRD4ALDH1A1GAA
SCHEMBL2302266 0.83 ADORA2A (0.61) NCOA1NCOA3BRD4ALDH1A1GAA
SCHEMBL395091 0.82 NCOA1 (0.56) NCOA1NCOA3BRD4ALDH1A1GAA
SCHEMBL11580911 0.82 ADORA2A (0.59) NCOA1NCOA3BRD4ALDH1A1GAA
SCHEMBL3790457 0.81 ADORA2A (0.49) NCOA1NCOA3BRD4ALDH1A1GAA
SCHEMBL7544988 0.80 BRD4 (0.43) NCOA1NCOA3BRD4ALDH1A1GAA
SCHEMBL3800513 0.79 NCOA1 (0.53) NCOA1NCOA3BRD4ALDH1A1GAA
SCHEMBL5723 0.78 GAA (0.62) NCOA1NCOA3ALDH1A1GAACYP1A2
SCHEMBL30617018 0.78 GAA (0.62) NCOA1NCOA3ALDH1A1GAACYP1A2
SCHEMBL3786465 0.77 ALDH1A1 (0.59) NCOA1ALDH1A1ADORA2AL3MBTL1PTPRC

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 NCOA1 2120/4885NCOA3 989/4885BRD4 96/4885

“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.