SCHEMBL1471645

SCHEMBL1471645

CCC(C(C)=O)C(=O)OCCO

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.37
TSHR P16473 2/20 0.35
ALDH1A1 P00352 6/20 0.33
HSD17B10 Q99714 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 2/20 0.31
HPGD P15428 1/20 0.31
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MGLL Q99685 1/20 0.31
KMT2A Q03164 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
SCHEMBL28990190 0.89 ACHE (0.41) ACHETSHRALDH1A1HSD17B10LMNA
SCHEMBL20483731 0.88 LMNA (0.40) ACHELMNA
SCHEMBL10608611 0.84 ALDH1A1 (0.38) TSHRALDH1A1HSD17B10LMNAHPGD
SCHEMBL28990192 0.84 ACHE (0.38) ACHETSHRALDH1A1HSD17B10GAA
SCHEMBL28359599 0.84 TSHR (0.37) ACHETSHRALDH1A1
SCHEMBL17085257 0.83 ALDH1A1 (0.45) TSHRALDH1A1HSD17B10LMNAKMT2A
SCHEMBL28158944 0.81 ALDH1A1 (0.31) TSHRALDH1A1HSD17B10LMNA
SCHEMBL11389275 0.81 ALDH1A1 (0.56) ACHETSHRALDH1A1LMNAHPGD
SCHEMBL28474376 0.79 ALDH1A1 (0.48) ALDH1A1HSD17B10LMNAGAAHPGD
SCHEMBL856078 0.79 ALDH1A1 (0.48) ALDH1A1HSD17B10LMNAGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199528-A1 ISOBUTYRIC ACID ESTER COMPOUND HAVING ALKENOYLOXY GROUP AT ALPHA-POSITION, PERFUME COMPOSITION, AND USE AS PERFUME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-06-20 US disclosed
EP-4349416-A1 ISOBUTYRIC ACID ESTER COMPOUND HAVING ALKENOYLOXY GROUP AT a-POSITION, PERFUME COMPOSITION, AND USE AS PERFUME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-04-10 EP disclosed
WO-2023243499-A1 ALDEHYDE COMPOSITION 三菱瓦斯化学株式会社 2023-12-21 WO disclosed
US-11725161-B2 Carboxylic acid ester compound, production method thereof, and fragrance composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-08-15 US disclosed
EP-3882233-B1 CARBOXYLIC ACID ESTER COMPOUND, PRODUCTION METHOD THEREOF, AND FRAGRANCE COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2023-01-11 EP disclosed
US-20220041955-A1 CARBOXYLIC ACID ESTER COMPOUND, PRODUCTION METHOD THEREOF, AND FRAGRANCE COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2022-02-10 US disclosed
EP-3882233-A1 CARBOXYLIC ACID ESTER COMPOUND, PRODUCTION METHOD THEREOF, AND FRAGRANCE COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-09-22 EP disclosed
US-11062794-B2 Olfactory signature and odorant mixture having the same YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2021-07-13 US disclosed
US-20180253534-A1 OLFACTORY SIGNATURE AND ODORANT MIXTURE HAVING THE SAME YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2018-09-06 US disclosed
US-9959392-B2 Olfactory signature and odorant mixture having the same YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2018-05-01 US disclosed
US-20100099594-A1 Fragrance-delivery composition comprising boron and persulfate ion-crosslinked polyvinyl alcohol microcapsules and method of use thereof IPS ADHESIVES LLC 2010-04-22 US disclosed
US-20100087351-A1 Perfumes for Linear Citrus Release in Rinse-Off Systems QUEST INTERNATIONAL SERVICES B.V. (NL) 2010-04-08 US disclosed
US-7648956-B2 Fragrance composition KAO CORPORATION (JP) 2010-01-19 US disclosed
US-20100010275-A1 FRAGRANCE COMPOSITION KAO CORPORATION (JP) 2010-01-14 US disclosed
US-20090075859-A1 FRAGRANCE COMPOSITION KAO CORPORATION (JP) 2009-03-19 US disclosed
US-7491833-B2 Valerolactone compounds and perfume composition KAO CORPORATION (JP) 2009-02-17 US disclosed
US-20080176781-A1 Perfumes for linear citrus release in rinse-off systems QUEST INTERNATIONAL SERVICES B.V. (NL) 2008-07-24 US disclosed
EP-1897932-A1 FRAGRANCE COMPOSITION Kao Corporation (JP) 2008-03-12 EP disclosed
US-20060258559-A1 Valerolactone compounds and perfume composition KAO CORPORATION (JP) 2006-11-16 US disclosed
EP-1555261-A1 VALEROLACTONE COMPOUNDS AND PERFUME COMPOSITION Kao Corporation (JP) 2005-07-20 EP 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 (5 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-20090075859-A1 FRAGRANCE COMPOSITION FAAH, NAT1, NAA40 ACHE 384/4885TSHR 2492/4885ALDH1A1 15/4885
US-11725161-B2 Carboxylic acid ester compound, production method thereof, and fragrance composition ACMSD, FAAH, ELOVL5 ACHE 656/4885TSHR 4379/4885ALDH1A1 23/4885
US-20220041955-A1 CARBOXYLIC ACID ESTER COMPOUND, PRODUCTION METHOD THEREOF, AND FRAGRANCE COMPOSITION ACMSD, FAAH, ELOVL5 ACHE 656/4885TSHR 4379/4885ALDH1A1 23/4885
US-20100010275-A1 FRAGRANCE COMPOSITION FAAH, NAT1, NAA40 ACHE 384/4885TSHR 2492/4885ALDH1A1 15/4885
US-20240199528-A1 ISOBUTYRIC ACID ESTER COMPOUND HAVING ALKENOYLOXY GROUP AT ALPHA-POSITION, PERFUME COMPOSITION, AND USE AS PERFUME CYP1B1, CPT1A, FAAH2 ACHE 1801/4885TSHR 4223/4885ALDH1A1 214/4885

“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.