SCHEMBL3789258

SCHEMBL3789258

Nc1ccccc1-c1[c]occ1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
HSD17B10 Q99714 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
KDM4E B2RXH2 3/20 0.33
NPC1 O15118 3/20 0.33
GAA P10253 3/20 0.33
RAB9A P51151 2/20 0.33
HPGD P15428 1/20 0.33
S1PR1 P21453 1/20 0.33
ATAD2 Q6PL18 1/20 0.33
IDO1 P14902 4/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32
ADORA2A P29274 2/20 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
SCHEMBL5548439 0.75 NOTUM (0.36) ALDH1A1L3MBTL1SMN1; SMN2KDM4ENPC1
SCHEMBL5368206 0.75 CYP2A6 (0.41) ALDH1A1HSD17B10SMN1; SMN2KDM4ENPC1
SCHEMBL10471232 0.75 NPC1 (0.41) ALDH1A1HSD17B10SMN1; SMN2CYP3A4KDM4E
SCHEMBL3783704 0.75 DPP4 (0.47)
SCHEMBL2942646 0.72 ENPP3 (0.38) ALDH1A1L3MBTL1HSD17B10SMN1; SMN2CYP3A4
SCHEMBL1222023 0.72 NOTUM (0.42) ALDH1A1HSD17B10CYP3A4ALOX15HPGD
SCHEMBL5348133 0.71
SCHEMBL4765612 0.71 APP (0.44) ALDH1A1L3MBTL1HSD17B10SMN1; SMN2CYP3A4
SCHEMBL39593 0.69 ALDH1A1 (0.38) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL4764102 0.68 ALDH1A1 (0.43) ALDH1A1L3MBTL1SMN1; SMN2KDM4ENPC1

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 4339/4885L3MBTL1 3838/4885HSD17B10 1100/4885

“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.