SCHEMBL585432

SCHEMBL585432

CCCC(CCOC)SC(=O)OCC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC10 Q969S8 2/20 0.33
HDAC11 Q96DB2 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC9 Q9UKV0 2/20 0.33
HDAC5 Q9UQL6 2/20 0.33
ALDH1A1 P00352 3/20 0.32
ALOX15 P16050 2/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CA1 P00915 1/20 0.31

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
SCHEMBL585431 1.00 POLB (0.33) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL14813255 0.85 TAS1R3 (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6943788 0.84 ALDH1A1 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL714716 0.81 ALDH1A1 (0.34) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL714717 0.81 ALDH1A1 (0.34) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL584054 0.81 CTSK (0.33)
SCHEMBL584055 0.79 HDAC1 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7596283 0.79 HDAC1 (0.32) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18113150 0.79 MGAM (0.39) POLBALDH1A1ALOX15CYP3A4TSHR
SCHEMBL28181516 0.73 ALDH1A1 (0.37) POLBHDAC3HDAC4HDAC1HDAC7

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765204-B2 Carbonothioates as flavours and fragrances GIVAUDAN S.A. (CH) 2014-07-01 US claimed
EP-2417105-B1 CARBONOTHIOATES AS FLAVOURS AND FRAGRANCES GIVAUDAN SA (CH) 2013-04-03 EP claimed
US-20120052178-A1 Carbonothioates As Flavours and Fragrances GIVAUDAN SA (CH) 2012-03-01 US claimed
EP-2417105-A1 CARBONOTHIOATES AS FLAVOURS AND FRAGRANCES Givaudan SA (CH) 2012-02-15 EP claimed
WO-2010115920-A1 CARBONOTHIOATES AS FLAVOURS AND FRAGRANCES GIVAUDAN SA (CH) 2010-10-14 WO claimed
US-20240277012-A1 DUPLICATE BEVERAGE WANG JIE (US) 2024-08-22 US disclosed
US-20240108040-A1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED (US) 2024-04-04 US disclosed
US-11758933-B2 High intensity sweeteners FIRMENICH INCORPORATED (US) 2023-09-19 US disclosed
EP-3368542-B1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED (US) 2022-06-22 EP disclosed
US-11357246-B2 High intensity sweeteners FIRMENICH INCORPORATED (US) 2022-06-14 US disclosed
US-20210227863-A1 HIGH INTENSITY SWEETENERS SENOMYX, INC. 2021-07-29 US disclosed
CN-108473484-B Compounds useful as TRPM8 modulators 弗门尼舍公司 2021-06-29 CN disclosed
US-20170096418-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 FIRMENICH INCORPORATED 2017-04-06 US disclosed
US-20170087199-A1 COMPOSITIONS FOR DELIVERING A COOLING SENSATION SENOMYX INC (US) 2017-03-30 US disclosed
US-20160376263-A1 BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF SENOMYX INC (US) 2016-12-29 US disclosed
US-8765204-B2 Carbonothioates as flavours and fragrances GIVAUDAN S.A. (CH) 2014-07-01 US disclosed
EP-2417105-B1 CARBONOTHIOATES AS FLAVOURS AND FRAGRANCES GIVAUDAN SA (CH) 2013-04-03 EP disclosed
US-20120052178-A1 Carbonothioates As Flavours and Fragrances GIVAUDAN SA (CH) 2012-03-01 US disclosed
EP-2417105-A1 CARBONOTHIOATES AS FLAVOURS AND FRAGRANCES Givaudan SA (CH) 2012-02-15 EP disclosed
WO-2010115920-A1 CARBONOTHIOATES AS FLAVOURS AND FRAGRANCES GIVAUDAN SA (CH) 2010-10-14 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 (8 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-20240108040-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 POLB 4295/4885HDAC3 1244/4885HDAC4 719/4885
US-20160376263-A1 BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF TAS2R5, TAS1R1, TAS2R1 POLB 3476/4885HDAC3 1344/4885HDAC4 925/4885
US-20120052178-A1 Carbonothioates As Flavours and Fragrances PFAS, MGMT, RNGTT POLB 1333/4885HDAC3 815/4885HDAC4 1297/4885
US-11357246-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 POLB 4295/4885HDAC3 1244/4885HDAC4 719/4885
US-20170087199-A1 COMPOSITIONS FOR DELIVERING A COOLING SENSATION TRPA1, PDE6G, PDE6D POLB 3252/4885HDAC3 1272/4885HDAC4 395/4885
US-20210227863-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 POLB 4295/4885HDAC3 1244/4885HDAC4 719/4885
US-11758933-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 POLB 4295/4885HDAC3 1244/4885HDAC4 719/4885
US-20170096418-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM6, TRPM4 POLB 4236/4885HDAC3 3164/4885HDAC4 2863/4885

“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.