SCHEMBL3789145

SCHEMBL3789145

Nc1cc(-c2ccccc2)ccc1Oc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.62
CYP2C9 P11712 2/20 0.62
CYP2C19 P33261 2/20 0.62
CYP3A4 P08684 2/20 0.62
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 3/20 0.50
ALDH1A1 P00352 3/20 0.50
GAA P10253 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
HPGD P15428 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.50
HSD17B10 Q99714 2/20 0.50
USP2 O75604 1/20 0.50
HSP90AA1 P07900 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
CYP2D6 P10635 1/20 0.46

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
SCHEMBL31090802 1.00 CYP1A2 (0.62) CYP1A2CYP2C9CYP2C19CYP3A4MAPT
SCHEMBL30393807 0.98 CYP1A2 (0.65) CYP1A2CYP2C9CYP2C19CYP3A4MAPT
SCHEMBL30393884 0.94 CYP1A2 (0.61) CYP1A2CYP2C9CYP2C19CYP3A4MAPT
SCHEMBL8977528 0.93 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19CYP3A4MAPT
SCHEMBL3784764 0.93 CYP3A4 (0.59) CYP1A2CYP2C9CYP2C19CYP3A4MAPT
SCHEMBL25135225 0.91 NCOA1 (0.57) CYP1A2CYP2C9CYP2C19CYP3A4MAPT
SCHEMBL3785409 0.90 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19CYP3A4MAPT
SCHEMBL25135228 0.88 MAOB (0.58) CYP1A2CYP2C9CYP2C19CYP3A4MAPT
SCHEMBL7015396 0.85 CYP3A4 (0.54) CYP1A2CYP2C9CYP2C19CYP3A4MAPT
SCHEMBL29866044 0.85 CYP3A4 (0.54) CYP1A2CYP2C9CYP2C19CYP3A4MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116075421-A Laminate, method for producing laminate, and method for producing flexible electronic device 东洋纺株式会社 2023-05-05 CN disclosed
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 CYP1A2 170/4885CYP2C9 157/4885CYP2C19 196/4885

“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.