SCHEMBL2818593

SCHEMBL2818593

CCOC(=O)C(CCC(=O)O)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.48
GABRD O14764 2/20 0.48
GABRA1 P14867 2/20 0.48
GABRB1 P18505 2/20 0.48
GABRG2 P18507 2/20 0.48
GABRB3 P28472 2/20 0.48
GABRA5 P31644 2/20 0.48
GABRA3 P34903 2/20 0.48
GABRA2 P47869 2/20 0.48
GABRB2 P47870 2/20 0.48
GABRA4 P48169 2/20 0.48
GABRE P78334 2/20 0.48
GABRA6 Q16445 2/20 0.48
GABRG1 Q8N1C3 2/20 0.48
GABRG3 Q99928 2/20 0.48
GABRQ Q9UN88 2/20 0.48
TDP1 Q9NUW8 5/20 0.47
FOLH1 Q04609 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL6259052 0.90 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6885934 0.87 TDP1 (0.53) TDP1MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL11042683 0.84 FFAR4 (0.52) TDP1MEN1KMT2AALDH1A1LMNA
SCHEMBL27514817 0.84 FFAR4 (0.52) TDP1MEN1KMT2AALDH1A1LMNA
SCHEMBL4613905 0.83 TDP1 (0.50) TDP1MEN1KMT2APOLBALDH1A1
SCHEMBL11596985 0.82 PPARG (0.48) TDP1MEN1KMT2ACYP1A2POLB
SCHEMBL11596983 0.82 PPARG (0.48) TDP1MEN1KMT2ACYP1A2POLB
SCHEMBL6650291 0.82 L3MBTL1 (0.56) TDP1MEN1KMT2ACYP1A2POLB
SCHEMBL10843170 0.82 ALDH1A1 (0.44) TDP1MEN1KMT2APOLBALDH1A1
SCHEMBL28899057 0.81 TDP1 (0.47) TDP1MEN1KMT2AALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110318290-A1 Compounds and Methods for Inhibiting Axillary Malodour GIVAUDAN SA (CH) 2011-12-29 US disclosed
EP-2041145-B1 AZATRICYCLIC COMPOUNDS AND THEIR USE GLAXO GROUP LTD (GB) 2010-10-27 EP disclosed
US-7264956-B2 N-alpha-acyl-glutamine-aminoacylase for identifying enzyme inhibitors which prevent/supress sweating odor; deodorants GIVAUDAN SA (CH) 2007-09-04 US disclosed
EP-1811034-A2 Compounds and method for inhibiting axillary malodour Givaudan SA (CH) 2007-07-25 EP disclosed
US-20040241795-A1 Compounds and methods for inhibiting axillary malodour GIVAUDAN SA (CH) 2004-12-02 US disclosed
EP-1387891-A2 COMPOUNDS AND METHODS FOR INHIBITING AXILLARY MALODOUR Givaudan SA (CH) 2004-02-11 EP disclosed
EP-1305407-A2 PREPARATION OF DICARBOXYLIC ACID MONOESTERS FROM CYANOCARBOXYLIC ACID ESTERS E. I. du Pont de Nemours and Company (US) 2003-05-02 EP disclosed
WO-2002092024-A2 COMPOUNDS AND METHODS FOR INHIBITING AXILLARY MALODOUR GIVAUDAN SA (CH) 2002-11-21 WO disclosed
US-6455730-B1 CONTACTING CYANOPROPANOIC ACID METHYL ESTER WITH NITRILASE ISOLATED FROM ACIDOVORAX TO FORM BUTANEDIOIC ACID MONOMETHYL ESTER WITH NO PRODUCTION OF CYANOPROPIONIC ACID OR BUTANEDIOIC ACID E. I. DU PONT DE NEMOURS & COMPANY 2002-09-24 US disclosed
WO-2002012527-A2 PREPARATION OF DICARBOXYLIC ACID MONOESTERS FROM CYANOCARBOXYLIC ACID ESTERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2002-02-14 WO disclosed
CN-1049215-C Process for preparing benzoquinazoline thymidylate synthase inhibitors WELLOCOME FOUNDATION LTD (GB) 2000-02-09 CN 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-20110318290-A1 Compounds and Methods for Inhibiting Axillary Malodour TYR, AOX1, APEH GABRP 4005/4885GABRD 2726/4885GABRA1 4086/4885
US-20040241795-A1 Compounds and methods for inhibiting axillary malodour AOX1, TYR, ME1 GABRP 3904/4885GABRD 3330/4885GABRA1 4024/4885

“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.