SCHEMBL6444284

SCHEMBL6444284

COC(=O)Cc1cc(OCc2ccc(F)cc2)ccc1CO

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.51
MAOA P21397 1/20 0.51
NR4A2 P43354 2/20 0.47
PPARA Q07869 2/20 0.46
PARP10 Q53GL7 1/20 0.46
PTPN7 P35236 1/20 0.44
FFAR1 O14842 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL4420232 0.85 MAOB (0.51) MAOBMAOANR4A2PPARAPARP10
SCHEMBL4419540 0.84 MAOB (0.56) MAOBMAOANR4A2PPARAFFAR1
SCHEMBL4418643 0.83 MAOB (0.49) MAOBMAOANR4A2PPARAPARP10
SCHEMBL4419046 0.81 MAOB (0.60) MAOBMAOAPARP10
SCHEMBL6447312 0.81 MAOB (0.44) MAOBMAOANR4A2PPARAPARP10
SCHEMBL4419043 0.81 MAOB (0.60) MAOBMAOAPARP10
SCHEMBL7153285 0.81 MAOB (0.60) MAOBMAOAPARP10
SCHEMBL5090748 0.81 MAOB (0.63) MAOBMAOANR4A2PARP10FFAR1
SCHEMBL13760599 0.78 ALDH1A1 (0.51) MAOBNR4A2
SCHEMBL6445857 0.78 MAOB (0.61) MAOBMAOANR4A2LMNA

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
EP-1501804-A1 ISOQUINOLINE DERIVATIVES MAO-B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-02 EP disclosed
US-20030225122-A1 2-(S)-(6-(4-fluoro-benzyloxy)-3-oxo-3,4-dihydro-1H-isoquinolin -2-yl)- propionamide for example; Alzheimer's disease or senile dementia HOFFMANN-LA ROCHE INC. 2003-12-04 US disclosed
WO-2003091219-A1 ISOQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-06 WO 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-20030225122-A1 2-(S)-(6-(4-fluoro-benzyloxy)-3-oxo-3,4-dihydro-1H-isoquinolin -2-yl)- propionamide for example; Alzheimer's disease or senile dementia MAOB, MAOA, BACE2 MAOB 1/4885MAOA 2/4885NR4A2 1590/4885

“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.