SCHEMBL3504385

SCHEMBL3504385

C/C=C/C(=O)OCC/C=C/CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
HCAR2 Q8TDS4 5/20 0.41
ADORA3 P0DMS8 2/20 0.39
NR1I2 O75469 1/20 0.39
PGR P06401 1/20 0.39
PTGS2 P35354 1/20 0.39
PDE4D Q08499 1/20 0.39
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
CYP19A1 P11511 2/20 0.37
RXRA P19793 2/20 0.37
PPARG P37231 2/20 0.37
OXER1 Q8TDS5 2/20 0.37
FFAR1 O14842 1/20 0.37
PPARA Q07869 2/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL4931322 1.00 ATM (0.44) ATMHCAR2ADORA3NR1I2PGR
SCHEMBL15536312 1.00 ATM (0.44) ATMHCAR2ADORA3NR1I2PGR
SCHEMBL18339134 1.00 ATM (0.44) ATMHCAR2ADORA3NR1I2PGR
SCHEMBL27755971 1.00 ATM (0.44) ATMHCAR2ADORA3NR1I2PGR
SCHEMBL4113520 0.90 ATM (0.54) ATMHCAR2ADORA3NR1I2PGR
SCHEMBL28576320 0.90 ATM (0.54) ATMHCAR2ADORA3NR1I2PGR
SCHEMBL28767987 0.89 ATM (0.50) ATMHCAR2ADORA3NR1I2PGR
SCHEMBL22390230 0.83 HCAR2 (0.48) ATMHCAR2ADORA3NR1I2PGR
SCHEMBL4113527 0.83 HCAR2 (0.63) ATMHCAR2ADORA3NR1I2PGR
SCHEMBL22581648 0.83 HCAR2 (0.48) ATMHCAR2ADORA3NR1I2PGR

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 34 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
CN-110891615-B System and method for selecting and releasing fragrance 阿甘香气及精细化学有限公司 2022-08-05 CN 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-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
EP-2769971-B1 Novel Organoleptic Compound INT FLAVORS & FRAGRANCES INC (US) 2015-09-16 EP disclosed
EP-2769972-B1 Novel organoleptic compound INT FLAVORS & FRAGRANCES INC (US) 2015-09-16 EP disclosed
EP-2769972-A1 Novel organoleptic compound INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2014-08-27 EP disclosed
EP-2769971-A1 Novel Organoleptic Compound INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2014-08-27 EP disclosed
US-8785677-B1 Organoleptic compound INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2014-07-22 US disclosed
US-8772533-B1 Organoleptic compound INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2014-07-08 US disclosed
US-20100248390-A1 COMPOSITIONS AND METHODS FOR IDENTIFYING LIGANDS OF ODORANT RECEPTORS DUKE UNIVERSITY (US) 2010-09-30 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 (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 ATM 322/4885HCAR2 2574/4885ADORA3 2392/4885
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 ATM 1037/4885HCAR2 1934/4885ADORA3 666/4885
US-11357246-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 ATM 322/4885HCAR2 2574/4885ADORA3 2392/4885
US-20170087199-A1 COMPOSITIONS FOR DELIVERING A COOLING SENSATION TRPA1, PDE6G, PDE6D ATM 1766/4885HCAR2 522/4885ADORA3 956/4885
US-20210227863-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 ATM 322/4885HCAR2 2574/4885ADORA3 2392/4885
US-11758933-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 ATM 322/4885HCAR2 2574/4885ADORA3 2392/4885
US-20170096418-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM6, TRPM4 ATM 1442/4885HCAR2 542/4885ADORA3 1057/4885
US-10695277-B2 Pro-fragrance composition COPS5, COPS8, CBR3 ATM 4249/4885HCAR2 3171/4885ADORA3 3935/4885

“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.