SCHEMBL6538871

SCHEMBL6538871

COc1ccc(-c2[nH]c(=O)oc2-c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.47
MAOA P21397 2/20 0.47
GSTP1 P09211 1/20 0.47
NPC1 O15118 2/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ANO1 Q5XXA6 2/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NOD2 Q9HC29 1/20 0.44
FAAH O00519 1/20 0.44
MGLL Q99685 1/20 0.44
XDH P47989 1/20 0.44
APP P05067 2/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP1B1 Q16678 1/20 0.43
MEN1 O00255 1/20 0.43
BCHE P06276 1/20 0.43

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
SCHEMBL3099432 0.84 NOTUM (0.49) NPC1MAPTMEN1KMT2ARAB9A
SCHEMBL791985 0.75 MAOB (0.69) MAOBMAOANPC1L3MBTL1MAPT
SCHEMBL6540192 0.73 MEN1 (0.47) MAOBL3MBTL1MAPTMAPK1NPSR1
SCHEMBL20367158 0.72 GSTP1 (0.63) MAOBGSTP1NPC1APPMEN1
SCHEMBL19091938 0.72 GSTP1 (0.63) MAOBGSTP1NPC1APPMEN1
Benzylphenylether SCHEMBL28164613 0.72 MAOB (0.75) MAOBMAOANPC1L3MBTL1MAPT
SCHEMBL6207736 0.72 NPSR1 (0.54) MAOBNPC1ATML3MBTL1MAPT
SCHEMBL10517455 0.71 GSTP1 (0.51) MAOBGSTP1NPC1MAPTMAPK1
SCHEMBL6265431 0.71 NPSR1 (0.53) MAOBGSTP1NPC1L3MBTL1MAPT
SCHEMBL6539139 0.71 NPSR1 (0.53) MAOBGSTP1NPC1L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157891-A1 Inhibitor of cox FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 US 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-20040157891-A1 Inhibitor of cox PTGS1, PTGS2, PTGES2 MAOB 397/4885MAOA 523/4885GSTP1 350/4885

“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.