SCHEMBL18339141

SCHEMBL18339141

CCCCC[C@@H]1OCC[C@@H](CCC)S1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.48
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 3/20 0.34
SPHK1 Q9NYA1 5/20 0.33
SPHK2 Q9NRA0 4/20 0.33
ALOX5 P09917 2/20 0.33
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL1308539 1.00 EPHX1 (0.48) EPHX1ALDH1A1CYP1A2SPHK1SPHK2
SCHEMBL18339140 1.00 EPHX1 (0.48) EPHX1ALDH1A1CYP1A2SPHK1SPHK2
SCHEMBL11241826 0.98 EPHX1 (0.52) EPHX1ALDH1A1CYP1A2SPHK1SPHK2
SCHEMBL11255010 0.98 EPHX1 (0.52) EPHX1ALDH1A1CYP1A2SPHK1SPHK2
SCHEMBL11251244 0.93 EPHX1 (0.53) EPHX1ALDH1A1CYP1A2SPHK1SPHK2
SCHEMBL11245616 0.84 EPHX1 (0.52) EPHX1ALDH1A1CYP1A2SPHK1SPHK2
SCHEMBL11251253 0.83 EPHX1 (0.35) EPHX1
SCHEMBL28581095 0.81 ALDH1A1 (0.45) EPHX1ALDH1A1CYP1A2SPHK1SPHK2
SCHEMBL28238221 0.81 ALDH1A1 (0.45) EPHX1ALDH1A1CYP1A2SPHK1SPHK2
SCHEMBL1306960 0.79 EPHX1 (0.31) EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-20190177308-A9 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 SENOMYX, INC. 2019-06-13 US disclosed
US-20180273517-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 SENOMYX INC (US) 2018-09-27 US disclosed
EP-3368542-A2 HIGH INTENSITY SWEETENERS Senomyx, Inc. (US) 2018-09-05 EP disclosed
EP-3356356-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 Senomyx, Inc. (US) 2018-08-08 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 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 EPHX1 3026/4885ALDH1A1 978/4885CYP1A2 4564/4885
US-20170119032-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 EPHX1 3026/4885ALDH1A1 978/4885CYP1A2 4564/4885
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 EPHX1 3681/4885ALDH1A1 1490/4885CYP1A2 2167/4885
US-10392371-B2 Compounds useful as modulators of TRPM8 TRPM8, TRPM4, TRPM6 EPHX1 4010/4885ALDH1A1 3726/4885CYP1A2 4582/4885
US-11357246-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 EPHX1 3026/4885ALDH1A1 978/4885CYP1A2 4564/4885
US-20170143022-A1 Compositions Incorporating an Umami Flavor Agent TAS2R8, TAS2R45, TAS2R40 EPHX1 1853/4885ALDH1A1 263/4885CYP1A2 2495/4885
US-20190177308-A9 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM6, TRPM4 EPHX1 3982/4885ALDH1A1 3880/4885CYP1A2 4547/4885
US-20180273517-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM6, TRPM4 EPHX1 3982/4885ALDH1A1 3880/4885CYP1A2 4547/4885
US-20170087199-A1 COMPOSITIONS FOR DELIVERING A COOLING SENSATION TRPA1, PDE6G, PDE6D EPHX1 3152/4885ALDH1A1 1029/4885CYP1A2 1422/4885
US-20210227863-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 EPHX1 3026/4885ALDH1A1 978/4885CYP1A2 4564/4885
US-11758933-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 EPHX1 3026/4885ALDH1A1 978/4885CYP1A2 4564/4885
US-20170096418-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM6, TRPM4 EPHX1 3982/4885ALDH1A1 3880/4885CYP1A2 4547/4885

“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.