SCHEMBL18339353

SCHEMBL18339353

CCC=CC/C=C\CCO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
CYP19A1 P11511 4/20 0.54
PPARG P37231 3/20 0.54
OXER1 Q8TDS5 3/20 0.54
MAPT P10636 3/20 0.54
RXRA P19793 2/20 0.54
FFAR1 O14842 2/20 0.54
CNR1 P21554 2/20 0.52
PTGS1 P23219 4/20 0.50
F7 P08709 3/20 0.50
F3 P13726 3/20 0.50
PPARA Q07869 3/20 0.50
KMT2A Q03164 2/20 0.50
PPARD Q03181 2/20 0.50
ADORA3 P0DMS8 2/20 0.50
NR1I2 O75469 2/20 0.47
PTGS2 P35354 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL289360 1.00 ALDH1A1 (0.54) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL88350 1.00 ALDH1A1 (0.54) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL1245698 1.00 ALDH1A1 (0.54) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL19920999 1.00 ALDH1A1 (0.54) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL21052414 1.00 ALDH1A1 (0.54) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL88349 1.00 ALDH1A1 (0.54) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL1245776 1.00 ALDH1A1 (0.54) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL19921001 1.00 ALDH1A1 (0.54) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL9155208 1.00 ALDH1A1 (0.54) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL290480 1.00 ALDH1A1 (0.54) ALDH1A1CYP19A1PPARGOXER1MAPT

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
US-11958859-B2 Use of pyridoxal acetal salts as water-triggered pro-fragrances FLORIDA GULF COAST UNIVERSITY BOARD OF TRUSTEES (US) 2024-04-16 US disclosed
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
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
EP-3416729-A1 PRO-FRAGRANCE COMPOSITION Aqdot Limited (GB) 2018-12-26 EP disclosed
EP-3368542-A2 HIGH INTENSITY SWEETENERS Senomyx, Inc. (US) 2018-09-05 EP disclosed
WO-2017141030-A1 PRO-FRAGRANCE COMPOSITION AQDOT LIMITED (GB) 2017-08-24 WO disclosed
US-9732071-B2 Compounds useful as modulators of TRPM8 SENOMYX, INC. (US) 2017-08-15 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
CN-105758961-A Simulating preparation method for natural watermelon essence 北京工商大学 2016-07-13 CN 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 (9 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 978/4885CYP19A1 4650/4885PPARG 217/4885
US-20170119032-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 ALDH1A1 978/4885CYP19A1 4650/4885PPARG 217/4885
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 1490/4885CYP19A1 3584/4885PPARG 102/4885
US-11357246-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 ALDH1A1 978/4885CYP19A1 4650/4885PPARG 217/4885
US-11958859-B2 Use of pyridoxal acetal salts as water-triggered pro-fragrances PLPBP, PNPO, ADH5 ALDH1A1 394/4885CYP19A1 1630/4885PPARG 1468/4885
US-20170087199-A1 COMPOSITIONS FOR DELIVERING A COOLING SENSATION TRPA1, PDE6G, PDE6D ALDH1A1 1029/4885CYP19A1 577/4885PPARG 111/4885
US-20210227863-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 ALDH1A1 978/4885CYP19A1 4650/4885PPARG 217/4885
US-11758933-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 ALDH1A1 978/4885CYP19A1 4650/4885PPARG 217/4885
US-20170096418-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM6, TRPM4 ALDH1A1 3880/4885CYP19A1 3947/4885PPARG 1416/4885

“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.