SCHEMBL4365447

SCHEMBL4365447

CC1(C)OC(=O)C(c2ccc(Br)cc2)O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 2/20 0.37
MDM2 Q00987 2/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 2/20 0.34
HSD11B1 P28845 2/20 0.33
HAO1 Q9UJM8 1/20 0.33
LIG1 P18858 1/20 0.33
BRD4 O60885 1/20 0.33
CYP2C9 P11712 3/20 0.32
CYP2C19 P33261 3/20 0.32
CYP3A4 P08684 2/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL4373385 0.84 ELANE (0.39) ALDH1A1L3MBTL1LMNAKMT2AMEN1
SCHEMBL3585383 0.82 LMNA (0.37) POLBHSD17B10ALDH1A1LMNAKMT2A
SCHEMBL29055424 0.81 CA2 (0.43) POLBALDH1A1KMT2AMEN1CYP2C9
SCHEMBL8592625 0.81 CA2 (0.43) POLBALDH1A1KMT2AMEN1CYP2C9
SCHEMBL11897875 0.79 GLA (0.31) NPSR1
SCHEMBL8974400 0.78 BACE1 (0.52) KMT2AMEN1HSD11B1CYP3A4
SCHEMBL3590175 0.71 DRD2 (0.41) HSD11B1NPSR1
SCHEMBL4007825 0.70 MDM2 (0.40) HSD17B10ALDH1A1MDM2GAATSHR
SCHEMBL14431657 0.70 ALDH1A1 (0.44) POLBALDH1A1KMT2AMEN1TSHR
SCHEMBL9089738 0.69 CYP2A6 (0.40)

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 16 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
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-1526128-B1 Process the preparation of alpha-hydroxycarboxylic acid amides SYNGENTA PARTICIPATIONS AG (CH) 2007-01-03 EP 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-1485086-A1 AZABICYCLIC, AZATRICYCLIC AND AZASPIROCYCLIC DERIVATIVES OF AMINOCYCLOHEXANE AS NMDA, 5HT3, AND NEURONAL NICOTINIC RECEPTOR ANTAGONISTS Merz Pharma GmbH & Co. KGaA (DE) 2004-12-15 EP disclosed
EP-1444195-A2 PROCESS FOR THE PREPARATION OF ALPHA-HYDROXYCARBOXYLIC ACID AMIDES Syngenta Participations AG (CH) 2004-08-11 EP disclosed
EP-1282595-B1 NOVEL PHENYL-PROPARGYLETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2004-07-14 EP disclosed
US-6683211-B1 FUNGICIDES FOR CROPS SYNGENTA CROP PROTECTION, INC. 2004-01-27 US disclosed
WO-2003080046-A1 AZABICYCLIC, AZATRICYCLIC AND AZASPIROCYCLIC DERIVATIVES OF AMINOCYCLOHEXANE NMDA, 5HT3, AND NEURONAL NICOTINIC RECEPTOR ANTAGONI STS MERZ PHARMA GMBH & CO. KGAA (DE) 2003-10-02 WO disclosed
WO-2003042166-A2 PROCESS FOR PREPARATION OF α-HYDROXYCARBOXYLIC ACID AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2003-05-22 WO disclosed
EP-1282595-A1 NOVEL PHENYL-PROPARGYLETHER DERIVATIVES Syngenta Participations AG (CH) 2003-02-12 EP disclosed
WO-2001087822-A1 NOVEL PHENYL-PROPARGYLETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2001-11-22 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 POLB 4612/4885HSD17B10 74/4885ALDH1A1 103/4885

“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.