SCHEMBL77463

SCHEMBL77463

COc1cc(C(O)C#N)ccc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
CYP3A4 P08684 1/20 0.58
ALDH1A1 P00352 2/20 0.57
BLM P54132 2/20 0.57
NFKB1 P19838 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
PMP22 Q01453 1/20 0.55
KDM4E B2RXH2 1/20 0.55
HSD17B10 Q99714 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
SLC22A3 O75751 1/20 0.51
KMT2A Q03164 1/20 0.49
MAOB P27338 1/20 0.48
BCHE P06276 2/20 0.48
TYR P14679 2/20 0.48
ACHE P22303 2/20 0.48
EGFR P00533 1/20 0.47
TRPA1 O75762 1/20 0.46
HTT P42858 1/20 0.46
CYP19A1 P11511 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
SCHEMBL2534777 0.86 ACHE (0.54) TSHRALDH1A1NPSR1KDM4EL3MBTL1
SCHEMBL6957418 0.83 TSHR (0.58) TSHRCYP3A4ALDH1A1BLMNFKB1
SCHEMBL7964647 0.83 TSHR (0.61) TSHRCYP3A4ALDH1A1BLMNFKB1
SCHEMBL85849 0.81 ALDH1A1 (0.56) TSHRCYP3A4ALDH1A1BLMNFKB1
SCHEMBL6657890 0.80 ALDH1A1 (0.43) TSHRCYP3A4ALDH1A1BLMNFKB1
SCHEMBL705159 0.80 TSHR (0.68) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL7901872 0.80 TSHR (0.68) TSHRCYP3A4ALDH1A1BLMNFKB1
SCHEMBL12875453 0.79 SLC6A2 (0.46) TSHRCYP3A4ALDH1A1KDM4EACHE
SCHEMBL11197069 0.79 TSHR (0.62) TSHRCYP3A4ALDH1A1BLMNFKB1
SCHEMBL29466173 0.78 TSHR (0.66) TSHRCYP3A4BLMNFKB1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919857-B1 PROCESS FOR THE SYNTHESIS OF MANDIPROPAMID AND DERIVATIVES THEREOF SYNGENTA PARTICIPATIONS AG (CH) 2016-03-09 EP disclosed
EP-1919857-B1 PROCESS FOR THE SYNTHESIS OF MANDIPROPAMID AND DERIVATIVES THEREOF SYNGENTA PARTICIPATIONS AG (CH) 2016-03-09 EP disclosed
US-8129560-B2 Process for the synthesis of mandipropamid and derivatives thereof SYNGENTA CROP PROTECTION, INC. (US) 2012-03-06 US disclosed
US-8129560-B2 Process for the synthesis of mandipropamid and derivatives thereof SYNGENTA CROP PROTECTION, INC. (US) 2012-03-06 US disclosed
US-8129560-B2 Process for the synthesis of mandipropamid and derivatives thereof SYNGENTA CROP PROTECTION, INC. (US) 2012-03-06 US disclosed
US-20090118532-A1 Process for the Synthesis of Mandipropamid and Derivatives Thereof SYNGENTA CROP PROTECTION, INC. (US) 2009-05-07 US disclosed
US-20090118532-A1 Process for the Synthesis of Mandipropamid and Derivatives Thereof SYNGENTA CROP PROTECTION, INC. (US) 2009-05-07 US disclosed
US-20090118532-A1 Process for the Synthesis of Mandipropamid and Derivatives Thereof SYNGENTA CROP PROTECTION, INC. (US) 2009-05-07 US disclosed
US-7521579-B2 Process for the preparation of alpha hydroxycarboxylic acid amides SYNGENTA CROP PROTECTION, INC. (US) 2009-04-21 US disclosed
US-7521579-B2 Process for the preparation of alpha hydroxycarboxylic acid amides SYNGENTA CROP PROTECTION, INC. (US) 2009-04-21 US disclosed
EP-1919857-A2 PROCESS FOR THE SYNTHESIS OF MANDIPROPAMID AND DERIVATIVES THEREOF Syngeta Participations AG (CH) 2008-05-14 EP disclosed
WO-2007020381-A2 PROCESS FOR THE SYNTHESIS OF MANDIPROPAMID AND DERIVATIVES THEREOF SYNGENTA PARTICIPATIONS AG (CH) 2007-02-22 WO 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 (2 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 TSHR 2562/4885CYP3A4 65/4885ALDH1A1 103/4885
US-20090118532-A1 Process for the Synthesis of Mandipropamid and Derivatives Thereof OPRM1, OPRD1, ADRA1D TSHR 272/4885CYP3A4 75/4885ALDH1A1 201/4885

“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.