SCHEMBL4368911

SCHEMBL4368911

COc1cc(CCNC(=O)[C@@H](O)c2ccc3ccccc3c2)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
NOX4 Q9NPH5 1/20 0.48
PKM P14618 1/20 0.47
ALOX5 P09917 1/20 0.47
OR51E2 Q9H255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CES2 O00748 1/20 0.47
GAA P10253 1/20 0.46
KMT2A Q03164 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
SCHEMBL4366828 1.00 MAPT (0.52) MAPTRXFP1MTNR1AMTNR1BNOX4
SCHEMBL4366822 1.00 MAPT (0.52) MAPTRXFP1MTNR1AMTNR1BNOX4
SCHEMBL4372703 0.88 GAA (0.55) MTNR1AMTNR1BALOX5OR51E2GAA
SCHEMBL4363659 0.88 GAA (0.55) MTNR1AMTNR1BALOX5OR51E2GAA
SCHEMBL4363542 0.88 GAA (0.55) MTNR1AMTNR1BALOX5OR51E2GAA
SCHEMBL4360320 0.87 MTNR1A (0.53) MAPTMTNR1AMTNR1BNOX4ALOX5
SCHEMBL4363833 0.87 MTNR1A (0.53) MAPTMTNR1AMTNR1BNOX4ALOX5
SCHEMBL4360325 0.87 MTNR1A (0.53) MAPTMTNR1AMTNR1BNOX4ALOX5
SCHEMBL4365184 0.86 SMN1; SMN2 (0.53) MTNR1AMTNR1BGAAKMT2A
SCHEMBL4365176 0.86 SMN1; SMN2 (0.53) MTNR1AMTNR1BGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521579-B2 Process for the preparation of alpha hydroxycarboxylic acid amides SYNGENTA CROP PROTECTION, INC. (US) 2009-04-21 US disclosed
EP-1526128-B1 Process the preparation of alpha-hydroxycarboxylic acid amides SYNGENTA PARTICIPATIONS AG (CH) 2007-01-03 EP disclosed
EP-1444195-B1 PROCESS FOR THE PREPARATION OF ALPHA-HYDROXYCARBOXYLIC ACID AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2005-08-10 EP disclosed
EP-1526128-A2 Process the preparation of alpha-hydroxycarboxylic acid amides Syngenta Participations AG (CH) 2005-04-27 EP disclosed
US-20050014950-A1 Process for the preparation of alpha hydroxycarboxylic acid amides SYNGENTA CROP PROTECTION, INC. 2005-01-20 US disclosed
EP-1444195-A2 PROCESS FOR THE PREPARATION OF ALPHA-HYDROXYCARBOXYLIC ACID AMIDES Syngenta Participations AG (CH) 2004-08-11 EP disclosed
WO-2003042166-A2 PROCESS FOR PREPARATION OF α-HYDROXYCARBOXYLIC ACID AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2003-05-22 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-20050014950-A1 Process for the preparation of alpha hydroxycarboxylic acid amides HCAR1, HCAR3, HCAR2 MAPT 4669/4885RXFP1 845/4885MTNR1A 247/4885

“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.