SCHEMBL4429923

SCHEMBL4429923

COC(=O)[C@H](C)Oc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.77
L3MBTL1 Q9Y468 1/20 0.77
LTA4H P09960 3/20 0.59
PPARG P37231 2/20 0.57
PPARA Q07869 2/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MAOB P27338 1/20 0.55
NR4A1 P22736 1/20 0.54
NR4A2 P43354 1/20 0.54
NR4A3 Q92570 1/20 0.54
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.51
PTGS1 P23219 1/20 0.51
SLC6A2 P23975 1/20 0.51
CYP2C19 P33261 1/20 0.51
PTGS2 P35354 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HIF1A Q16665 1/20 0.51

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
SCHEMBL1930610 1.00 LMNA (0.77) LMNAL3MBTL1LTA4HPPARGPPARA
SCHEMBL27566556 0.87 LMNA (0.60) LMNAL3MBTL1LTA4H
SCHEMBL9469655 0.87 LMNA (1.00) LMNAL3MBTL1LTA4HPPARGPPARA
SCHEMBL9621415 0.87 LMNA (1.00) LMNAL3MBTL1LTA4HPPARGPPARA
SCHEMBL9367416 0.87 LMNA (1.00) LMNAL3MBTL1LTA4HPPARGPPARA
SCHEMBL11115557 0.87 LMNA (0.75) LMNAL3MBTL1LTA4HPPARGPPARA
SCHEMBL1547197 0.87 LMNA (0.62) LMNAL3MBTL1LTA4HPPARGPPARA
SCHEMBL5111673 0.86 LMNA (0.74) LMNAL3MBTL1LTA4HPPARGPPARA
SCHEMBL9471057 0.86 LMNA (0.74) LMNAL3MBTL1LTA4HPPARGPPARA
SCHEMBL11511740 0.86 LMNA (0.58) LMNAL3MBTL1LTA4HMAOBNR4A2

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 LMNA 1325/4885L3MBTL1 1071/4885LTA4H 1423/4885

“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.