SCHEMBL4421947

SCHEMBL4421947

CCOC(=O)COc1ccc(OCc2ccc(F)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.60
NR4A2 P43354 1/20 0.57
NPSR1 Q6W5P4 2/20 0.56
PARP10 Q53GL7 1/20 0.56
GAA P10253 1/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
APP P05067 1/20 0.51
MAOA P21397 1/20 0.51
GSK3B P49841 1/20 0.50
BACE1 P56817 1/20 0.50
FFAR1 O14842 1/20 0.50
NPC1 O15118 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49

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
SCHEMBL4169834 0.91 NPSR1 (0.66) NPSR1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL17479424 0.86 NPSR1 (0.60) NPSR1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL21991755 0.85 MAOB (0.60) MAOBNR4A2NPSR1GAAAPP
SCHEMBL6187602 0.85 NR1H4 (0.64) MAOBNR4A2NPSR1GAAMEN1
SCHEMBL13557326 0.83 GAA (0.60) NPSR1PARP10GAASMN1; SMN2
SCHEMBL3498654 0.82 MAOB (0.53) MAOBNR4A2PARP10KMT2A
SCHEMBL11603134 0.82 MAOB (0.68) MAOBNR4A2PARP10MEN1KMT2A
SCHEMBL13141075 0.82 GAA (0.59) NPSR1GAASMN1; SMN2
SCHEMBL1577955 0.82 MEN1 (0.59) MAOBNR4A2PARP10MEN1KMT2A
SCHEMBL5202817 0.81 GAA (0.66) NPSR1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761480-B1 MAO-B INHIBITORS HOFFMANN LA ROCHE (CH) 2009-02-18 EP disclosed
US-7253318-B2 Benzyloxy derivatives as MAOB inhibitors HOFFMAN-LA ROCHE INC. (US) 2007-08-07 US disclosed
EP-1761480-A2 NEW MAO-B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP disclosed
WO-2006000324-A2 NEW MAO-B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-01-05 WO disclosed
US-20050288367-A1 Benzyloxy derivatives as MAOB inhibitors HOFFMAN-LA ROCHE INC. 2005-12-29 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-20050288367-A1 Benzyloxy derivatives as MAOB inhibitors MAOB, MAOA, COMT MAOB 1/4885NR4A2 1668/4885NPSR1 580/4885

“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.