SCHEMBL112254

SCHEMBL112254

CCCC(S)CCOC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TSHR P16473 3/20 0.43
ALOX15 P16050 1/20 0.42
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CHRM1 P11229 3/20 0.39
CHRM3 P20309 3/20 0.39
CHRM5 P08912 2/20 0.39
CHRNB2 P17787 2/20 0.39
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNA4 P43681 2/20 0.39
PGR P06401 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
HTR1A P08908 1/20 0.39
TBXA2R P21731 1/20 0.39
CHRNA7 P36544 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRNA10 Q9GZZ6 1/20 0.39

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
SCHEMBL5026819 1.00 ALDH1A1 (0.50) ALDH1A1TSHRALOX15LMNAHSD17B10
SCHEMBL5026818 1.00 ALDH1A1 (0.50) ALDH1A1TSHRALOX15LMNAHSD17B10
Methane SCHEMBL28237192 0.98 ALDH1A1 (0.48) ALDH1A1TSHRALOX15LMNAHSD17B10
Acetic Acid SCHEMBL21408590 0.96 ALDH1A1 (0.47) ALDH1A1TSHRALOX15LMNAHSD17B10
Acetaldehyde SCHEMBL17106540 0.93 ALDH1A1 (0.44) ALDH1A1TSHRALOX15LMNAHSD17B10
SCHEMBL3244027 0.88 ALDH1A1 (0.57) ALDH1A1TSHRALOX15LMNAHSD17B10
SCHEMBL3244031 0.88 ALDH1A1 (0.57) ALDH1A1TSHRALOX15LMNAHSD17B10
SCHEMBL3244029 0.88 ALDH1A1 (0.57) ALDH1A1TSHRALOX15LMNAHSD17B10
SCHEMBL31053838 0.88 ALDH1A1 (0.57) ALDH1A1TSHRALOX15LMNAHSD17B10
SCHEMBL21408588 0.87 ALDH1A1 (0.38) 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 1358 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12539263-B2 Deodorant composition containing 1-para-menthen-8-thiol, 3-mercaptohexyl acetate and undecylenic acid or the derivatives thereof JAFER ENTERPRISES R&D SL (ES) 2026-02-03 US claimed
US-12495817-B2 Grape skin compositions and compounds, and methods of preparation and use therefor PHANTASM LIMITED (NZ) 2025-12-16 US claimed
US-12458906-B2 Methods of modifying a naturally occurring cannabis raw plant material, a purified cannabis product from a naturally occurring cannabis raw plant material, and a modified cannabis product from a naturally occurring cannabis raw plant material HIGH SIERRA TECHNOLOGIES, INC. (US) 2025-11-04 US claimed
EP-4514477-A1 FRAGRANCE COMPOSITIONS HAVING LONG-LASTING TRAIL PERFORMANCE Firmenich SA (CH) 2025-03-05 EP claimed
US-20250034491-A1 MOSCATO WINE REPLICAS PRODUCED FROM INDIVIDUAL COMPONENTS AVA FOOD LABS INC (US) 2025-01-30 US 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
WO-2025013867-A1 SCREENING METHOD FOR SUBSTANCES FOR SUPPRESSING LEMON PHOTODEGRADATION ODOR AND METHOD FOR SUPPRESSING LEMON PHOTODEGRADATION ODOR 味の素株式会社 2025-01-16 WO 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
US-20240368505-A1 FLUORINE-FREE CLEANING AGENT, PREPARATION METHOD THEREFOR AND USE THEREOF Tan Kah Kee Innovation Laboratory (CN) 2024-11-07 US claimed
EP-4103243-B1 DEODORANT COMPOSITION CONTAINING 1,8-PARA-MENTHENETHIOL, 3-MERCAPTOHEXYL ACETATE AND UNDECYLENIC ACID OR THE DERIVATIVES THEREOF JAFER ENTPR R&D SL (ES) 2024-10-30 EP claimed
EP-2377916-A1 PROCESS FOR PRODUCING SOLUTION CONTAINING 3-MERCAPTOHEXAN-1-OL AND ALCOHOL MERCIAN CORPORATION (JP) 2011-10-19 EP claimed
EP-2268791-A1 YEAST STRAINS AND METHODS OF USE THEREOF Auckland Uniservices Limited (NZ) 2011-01-05 EP claimed
EP-2097511-B1 USE OF URE2 MUTANT YEASTS FOR INCREASING THE RELEASE OF AROMATIC VOLATILE THIOLS BY YEAST DURING FERMENTATION SARCO (FR) 2010-09-15 EP claimed
WO-2009110807-A1 YEAST STRAINS AND METHODS OF USE THEREOF AUCKLAND UNISERVICES LIMITED (NZ) 2009-09-11 WO claimed
EP-2097511-A2 USE OF URE2 MUTANT YEASTS FOR INCREASING THE RELEASE OF AROMATIC VOLATILE THIOLS BY YEAST DURING FERMENTATION Sarco (FR) 2009-09-09 EP claimed
WO-2008068635-A2 USE OF URE2 MUTANT YEASTS FOR INCREASING THE RELEASE OF AROMATIC VOLATILE THIOLS BY YEAST DURING FERMENTATION SARCO (FR) 2008-06-12 WO claimed
EP-1882027-A1 THIOLS AS FLAVORING INGREDIENT FIRMENICH SA (CH) 2008-01-30 EP claimed
US-20080020116-A1 THIOLS AS FLAVORING INGREDIENT FIRMENICH SA (CH) 2008-01-24 US claimed
WO-2007095682-A1 METHODS AND MICRO-ORGANISMS FOR MODULATING THE CONVERSION OF NON-VOLATILE SULFUR COMPOUNDS TO VOLATILE THIOL COMPOUNDS THE AUSTRALIAN WINE RESEARCH INSTITUTE (AU) 2007-08-30 WO claimed
WO-2006120625-A1 THIOLS AS FLAVORING INGREDIENT FIRMENICH SA (CH) 2006-11-16 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 (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-12458906-B2 Methods of modifying a naturally occurring cannabis raw plant material, a purified cannabis product from a naturally occurring cannabis raw plant material, and a modified cannabis product from a naturally occurring cannabis raw plant material CNR2, CNR1, OPRM1 ALDH1A1 3740/4885TSHR 4567/4885ALOX15 1052/4885
US-12539263-B2 Deodorant composition containing 1-para-menthen-8-thiol, 3-mercaptohexyl acetate and undecylenic acid or the derivatives thereof DEK, TRPM7, OR10J3 ALDH1A1 281/4885TSHR 2787/4885ALOX15 2147/4885

“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.