SCHEMBL8891074

SCHEMBL8891074

CC(=O)OC(C)CCCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.45
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM1 P11229 1/20 0.45
TBXA2R P21731 1/20 0.45
GALR3 O60755 1/20 0.44
MAPT P10636 1/20 0.44
BLM P54132 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALOX15 P16050 1/20 0.41
GABRP O00591 2/20 0.40
GABRD O14764 2/20 0.40
GABRA1 P14867 2/20 0.40
GABRB1 P18505 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
GABRA2 P47869 2/20 0.40
GABRB2 P47870 2/20 0.40

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
SCHEMBL4312997 1.00 TSHR (0.45) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL10599208 0.92 FFAR4 (0.47) TSHRALOX15LMNASLC22A6GSTK1
SCHEMBL18994011 0.92 FFAR4 (0.47) TSHRALOX15LMNASLC22A6GSTK1
SCHEMBL29964397 0.87 TSHR (0.48) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL1711788 0.87 TSHR (0.48) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL22367705 0.85 ALDH1A1 (0.43) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL31181338 0.85 FAAH (0.40) TSHRMAPTALOX15SLC22A6
Hydrochloric Acid SCHEMBL8989068 0.85 TSHR (0.47) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL28091127 0.85 TSHR (0.47) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL28091126 0.85 TSHR (0.47) TSHRCHRM2CHRM4CHRM1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240108040-A1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED (US) 2024-04-04 US disclosed
EP-3416729-B1 PRO-FRAGRANCE COMPOSITION AQDOT LTD (GB) 2023-09-20 EP 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
EP-3356356-B1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 FIRMENICH INCORPORATED (US) 2021-05-26 EP disclosed
US-10695277-B2 Pro-fragrance composition AQDOT LIMITED (GB) 2020-06-30 US 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
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
CN-103274931-A Solvent for separating carboxylic acid mixtures by extraction and rectification UNIV CHINA PETROLEUM 2013-09-04 CN disclosed
CN-101486640-B Preparation of sec-butyl acetate HUNAN RUIYUAN PETROCHEMICAL CO LTD 2010-05-12 CN disclosed
CN-101486640-A Preparation of sec-butyl acetate HUNAN RUIYUAN PETROCHEMICAL CO (CN) 2009-07-22 CN disclosed
WO-1997005126-A1 MUPIROCINSULFAMATES WITH ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1997-02-13 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 (11 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 TSHR 3246/4885CHRM2 2890/4885CHRM4 2381/4885
US-20170119032-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 TSHR 3246/4885CHRM2 2890/4885CHRM4 2381/4885
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 TSHR 2120/4885CHRM2 847/4885CHRM4 472/4885
US-10392371-B2 Compounds useful as modulators of TRPM8 TRPM8, TRPM4, TRPM6 TSHR 2580/4885CHRM2 1080/4885CHRM4 485/4885
US-11357246-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 TSHR 3246/4885CHRM2 2890/4885CHRM4 2381/4885
US-20170143022-A1 Compositions Incorporating an Umami Flavor Agent TAS2R8, TAS2R45, TAS2R40 TSHR 2694/4885CHRM2 928/4885CHRM4 691/4885
US-20170087199-A1 COMPOSITIONS FOR DELIVERING A COOLING SENSATION TRPA1, PDE6G, PDE6D TSHR 2063/4885CHRM2 482/4885CHRM4 423/4885
US-20210227863-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 TSHR 3246/4885CHRM2 2890/4885CHRM4 2381/4885
US-11758933-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 TSHR 3246/4885CHRM2 2890/4885CHRM4 2381/4885
US-20170096418-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM6, TRPM4 TSHR 2031/4885CHRM2 650/4885CHRM4 363/4885
US-10695277-B2 Pro-fragrance composition COPS5, COPS8, CBR3 TSHR 4423/4885CHRM2 2430/4885CHRM4 1583/4885

“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.