SCHEMBL111396

SCHEMBL111396

CCCC(CCOC(C)=O)SC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.40
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CHRM1 P11229 3/20 0.36
CHRM3 P20309 3/20 0.36
CHRM5 P08912 2/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
CHRNA4 P43681 2/20 0.36
PGR P06401 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
HTR1A P08908 1/20 0.36
TBXA2R P21731 1/20 0.36
CHRNA7 P36544 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRNA10 Q9GZZ6 1/20 0.36

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
Acetic Acid Propyl Ester SCHEMBL1871462 0.86 ALDH1A1 (0.41) ALDH1A1TSHRALOX15LMNAHSD17B10
SCHEMBL112653 0.85 ALDH1A1 (0.47) ALDH1A1TSHRALOX15LMNAHSD17B10
SCHEMBL17982595 0.83 ALDH1A1 (0.45) ALDH1A1TSHRALOX15LMNAHSD17B10
SCHEMBL8646969 0.81 ALDH1A1 (0.48) ALDH1A1TSHRALOX15LMNAHSD17B10
SCHEMBL8650950 0.80 ALDH1A1 (0.42) ALDH1A1TSHRALOX15LMNAHSD17B10
SCHEMBL8648712 0.80 ALDH1A1 (0.47) ALDH1A1TSHRALOX15LMNAHSD17B10
SCHEMBL10033079 0.79 TSHR (0.53) ALDH1A1TSHRHSD17B10SMN1; SMN2HDAC1
SCHEMBL8649174 0.78 ALDH1A1 (0.40) ALDH1A1TSHRALOX15LMNAHSD17B10
SCHEMBL3242059 0.77 ALDH1A1 (0.52) ALDH1A1TSHRALOX15LMNAHSD17B10
SCHEMBL3242052 0.77 ALDH1A1 (0.52) ALDH1A1TSHRALOX15LMNAHSD17B10

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 1282 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12568998-B2 Flavouring composition with balanced taste profile SYMRISE AG (DE) 2026-03-10 US claimed
EP-4444108-B1 ALDEHYDE MIXTURES FOR FLAVOUR IMPROVEMENT SYMRISE AG (DE) 2025-09-10 EP claimed
EP-4565194-A1 ODOR AND COLORANT STABILIZED COMPOSITIONS Symrise AG (DE) 2025-06-11 EP claimed
CN-119924491-A Flavoring composition with balanced taste characteristics 西姆莱斯有限公司 2025-05-06 CN claimed
CN-119744164-A Odor and colorant stable compositions 西姆莱斯股份公司 2025-04-01 CN claimed
US-20250040580-A1 ALDEHYDE MIXTURES FOR FLAVOUR IMPROVEMENT SYMRISE AG (DE) 2025-02-06 US claimed
WO-2025026525-A1 HETEROCYCLIC COMPOUNDS AS PHYSIOLOGICAL COOLANTS SYMRISE AG (DE) 2025-02-06 WO claimed
CN-111051483-B Esters and ethers of 2, 4-tetramethyl cyclobutane-1, 3-diol as fragrance chemicals 巴斯夫欧洲公司 2025-01-24 CN claimed
US-12187978-B2 Use of (3-acetoxy-2,2-dimethyl-propyl) acetate in combination with (3-hydroxy-2,2-dimethyl-propyl) acetate as an aroma chemical BASF SE (DE) 2025-01-07 US claimed
CN-119255781-A Antimicrobial mixtures 西姆莱斯股份公司 2025-01-03 CN claimed
WO-2017046055-A1 PERFUME COMPOSITIONS COMPRISING MICROCAPSULES, FRAGRANCE MODULATOR COMPOUNDS AND FRAGRANCE RAW MATERIAL FOR INCREASING AND PROLONGING THE INTENSITY OF FRAGRANCE HENKEL AG & CO. KGAA (DE) 2017-03-23 WO claimed
WO-2017046051-A1 PERFUME COMPOSITION COMPRISING FRAGRANCE MODULATOR COMPOUNDS AND 1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE COMPOUNDS FOR INCREASING AND PROLONGING THE INTENSITY OF FRAGRANCE HENKEL AG & CO. KGAA (DE) 2017-03-23 WO claimed
WO-2017046052-A1 PERFUME COMPOSITION COMPRISING FRAGRANCE MODULATOR COMPOUNDS AND SILICIC ACID ESTERS FOR INCREASING AND PROLONGING THE INTENSITY OF FRAGRANCE HENKEL AG & CO. KGAA (DE) 2017-03-23 WO claimed
US-9005688-B2 Thermally stable high impact flavoring particles SYMRISE AG (DE) 2015-04-14 US claimed
EP-2742983-A1 Method for isolating fragrance and flavour compounds Symrise AG (DE) 2014-06-18 EP claimed
EP-2559346-B1 Oleanene-type triterpene glycosides as masking agents SYMRISE AG (DE) 2014-03-26 EP claimed
WO-2013023891-A1 OLEANENE-TYPE TRITERPENE GLYCOSIDES AS MASKING AGENTS SYMRISE AG (DE) 2013-02-21 WO claimed
EP-2559346-A1 Oleanene-type triterpene glycosides as masking agents Symrise AG (DE) 2013-02-20 EP claimed
US-20120107477-A1 THERMALLY STABLE HIGH IMPACT FLAVORING PARTICLES SYMRISE AG (DE) 2012-05-03 US claimed
WO-2011147455-A1 FLAVORING SUBSTANCE-INCLUDED COMPOUNDS SYMRISE AG (DE) 2011-12-01 WO claimed

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

For each of this compound's patents that has machine-readable text (1 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-12568998-B2 Flavouring composition with balanced taste profile TAS2R20, TAS2R50, TAS2R40 ALDH1A1 1337/4885TSHR 1519/4885ALOX15 2662/4885

“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.