SCHEMBL7744359

SCHEMBL7744359

CCOC(=O)C(C)C(C)OC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
LMNA P02545 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TSHR P16473 3/20 0.42
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38
GALR3 O60755 1/20 0.36
MAPT P10636 1/20 0.36
BLM P54132 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 2/20 0.36
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL22120065 0.83 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10TSHRCHRM2
SCHEMBL18050499 0.83 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10GAAALOX15
SCHEMBL12640198 0.78 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10GAAALOX15
SCHEMBL19318891 0.78 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10GAAALOX15
SCHEMBL6906507 0.77 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10TSHRCHRM2
SCHEMBL18339318 0.77 TSHR (0.46) ALDH1A1TSHRCHRM2CHRM4CHRM1
SCHEMBL28464474 0.77 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10GAAALOX15
SCHEMBL725208 0.77 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10TSHRCHRM2
SCHEMBL18050854 0.76 MEN1 (0.36) ALDH1A1LMNAHSD17B10TSHRSMN1; SMN2
SCHEMBL10011840 0.75 ALDH1A1 (0.55) ALDH1A1LMNAHSD17B10TSHRCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001013740-A1 ETHYL 3-ACETOXY-2-METHYLBUTYRATE AS A FLAVORING AGENT AND METHODS FOR PREPARING AND USING SAME BUSH BOAKE ALLEN INC. (US) 2001-03-01 WO claimed
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
CN-108601958-B Pro-fragrance compositions 爱客多有限公司 2022-06-17 CN 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
EP-3356356-B1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 FIRMENICH INCORPORATED (US) 2021-05-26 EP disclosed
US-10392371-B2 Compounds useful as modulators of TRPM8 SENOMYX, INC. (US) 2019-08-27 US disclosed
US-9732071-B2 Compounds useful as modulators of TRPM8 SENOMYX, INC. (US) 2017-08-15 US disclosed
US-20170143022-A1 Compositions Incorporating an Umami Flavor Agent SENOMYX INC (US) 2017-05-25 US disclosed
US-20170119032-A1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED 2017-05-04 US disclosed
WO-2017075257-A2 HIGH INTENSITY SWEETENERS SENOMYX, INC. (US) 2017-05-04 WO 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
WO-2001013740-A1 ETHYL 3-ACETOXY-2-METHYLBUTYRATE AS A FLAVORING AGENT AND METHODS FOR PREPARING AND USING SAME BUSH BOAKE ALLEN INC. (US) 2001-03-01 WO disclosed
WO-2001013740-A1 ETHYL 3-ACETOXY-2-METHYLBUTYRATE AS A FLAVORING AGENT AND METHODS FOR PREPARING AND USING SAME BUSH BOAKE ALLEN INC. (US) 2001-03-01 WO disclosed
WO-2001013740-A1 ETHYL 3-ACETOXY-2-METHYLBUTYRATE AS A FLAVORING AGENT AND METHODS FOR PREPARING AND USING SAME BUSH BOAKE ALLEN INC. (US) 2001-03-01 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 (10 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 ALDH1A1 978/4885LMNA 4834/4885HSD17B10 3230/4885
US-20170119032-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 ALDH1A1 978/4885LMNA 4834/4885HSD17B10 3230/4885
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 ALDH1A1 1490/4885LMNA 4440/4885HSD17B10 4050/4885
US-10392371-B2 Compounds useful as modulators of TRPM8 TRPM8, TRPM4, TRPM6 ALDH1A1 3726/4885LMNA 3784/4885HSD17B10 3867/4885
US-11357246-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 ALDH1A1 978/4885LMNA 4834/4885HSD17B10 3230/4885
US-20170143022-A1 Compositions Incorporating an Umami Flavor Agent TAS2R8, TAS2R45, TAS2R40 ALDH1A1 263/4885LMNA 2068/4885HSD17B10 2723/4885
US-20170087199-A1 COMPOSITIONS FOR DELIVERING A COOLING SENSATION TRPA1, PDE6G, PDE6D ALDH1A1 1029/4885LMNA 4541/4885HSD17B10 1215/4885
US-20210227863-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 ALDH1A1 978/4885LMNA 4834/4885HSD17B10 3230/4885
US-11758933-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 ALDH1A1 978/4885LMNA 4834/4885HSD17B10 3230/4885
US-20170096418-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM6, TRPM4 ALDH1A1 3880/4885LMNA 4164/4885HSD17B10 3456/4885

“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.