SCHEMBL1532567

SCHEMBL1532567

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
GLO1 Q04760 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 2/20 0.35
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
TRPA1 O75762 1/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HPGD P15428 1/20 0.31
PIN1 Q13526 1/20 0.31

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
SCHEMBL11610873 0.82 TSHR (0.48) ALDH1A1HSD17B10TSHR
SCHEMBL28269481 0.81 ALDH1A1 (0.39) ALDH1A1GLO1LMNAHSD17B10TSHR
SCHEMBL11193369 0.80 TDP1 (0.41) ALDH1A1HSD17B10TSHRCYP2C9
SCHEMBL27898696 0.80 GAA (0.47) ALDH1A1GLO1LMNATSHRMGAM
SCHEMBL17589096 0.78 HCAR2 (0.36) ALDH1A1GLO1LMNAHSD17B10ALOX15
SCHEMBL8128351 0.76
SCHEMBL26781834 0.75 ALDH1A1 (0.46) ALDH1A1GLO1LMNAHSD17B10ALOX15
SCHEMBL16826983 0.75 ALDH1A1 (0.46) ALDH1A1GLO1LMNAHSD17B10ALOX15
SCHEMBL16826981 0.75 ALDH1A1 (0.46) ALDH1A1GLO1LMNAHSD17B10ALOX15
SCHEMBL28014172 0.75 MGAM (0.40) ALDH1A1LMNAHSD17B10TSHRALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009131692-A1 SUBSTRATES FOR DELIVERY OF PHYSIOLOGICALLY ACTIVE AGENTS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2009-10-29 WO claimed
US-6126930-A REDUCING TRIGEMINAL STIMULATION FROM AN ATOMIZED ALCOHOL THE PROCTER & GAMBLE COMPANY (US) 2000-10-03 US claimed
EP-1006994-A1 SPRAY COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2000-06-14 EP claimed
EP-0986367-A1 SPRAY COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2000-03-22 EP claimed
US-5843881-A Spray compositions THE PROCTER & GAMBLE COMPANY (US) 1998-12-01 US claimed
WO-1998035651-A1 SPRAY COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-08-20 WO claimed
WO-1998035650-A1 SPRAY COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-08-20 WO claimed
US-4094823-A Ethyl-2-methyl-3,4-pentadienoate perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-06-13 US claimed
US-3978239-A Foodstuff and flavoring containing C1 -C6 alkyl-2-methyl-3,4-pentadienoates INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-08-31 US claimed
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
US-4000327-A BERRY FRUIT FOODSTUFFS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-12-28 US disclosed
US-3998873-A ORGANOLEPTICS, PERFUMES, AROMAS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-12-21 US disclosed
US-3987803-A NOVEL PROCESS FOR ALTERING THE ORGANOLEPTIC PROPERTIES OF TOBACCO USING 2-METHYL-4-PENTENOIC ACID AND THE ETHYL ESTERS THEREOF INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-10-26 US disclosed
US-3984579-A Novel flavoring compositions and products containing isomer mixtures containing high proportions of 2-methyl-cis-3-pentenoic acid INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-10-05 US disclosed
US-3978239-A Foodstuff and flavoring containing C1 -C6 alkyl-2-methyl-3,4-pentadienoates INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-08-31 US disclosed
US-3976801-A Flavoring compositions containing alkyl esters of 2-methyl-4-pentenoic acid INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-08-24 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 (2 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 978/4885GLO1 3090/4885LMNA 4834/4885
US-11758933-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 ALDH1A1 978/4885GLO1 3090/4885LMNA 4834/4885

“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.