SCHEMBL112653

SCHEMBL112653

CCCC(CCOC(C)=O)SC(C)=O

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
SCHEMBL3242052 0.91 ALDH1A1 (0.52) ALDH1A1TSHRALOX15LMNAHSD17B10
SCHEMBL3242059 0.91 ALDH1A1 (0.52) ALDH1A1TSHRALOX15LMNAHSD17B10
SCHEMBL3242057 0.91 ALDH1A1 (0.52) ALDH1A1TSHRALOX15LMNAHSD17B10
SCHEMBL30080839 0.87 ALDH1A1 (0.41) ALDH1A1TSHRALOX15HSD17B10HDAC11
SCHEMBL8646969 0.85 ALDH1A1 (0.48) ALDH1A1TSHRALOX15LMNAHSD17B10
SCHEMBL8651919 0.85 HDAC3 (0.36) ALDH1A1ALOX15CHRNB2CHRNB4CHRNA3
SCHEMBL8650968 0.85 NAAA (0.44) ALDH1A1GAAHDAC1HDAC2HDAC3
SCHEMBL111396 0.85 ALDH1A1 (0.47) ALDH1A1TSHRALOX15LMNAHSD17B10
SCHEMBL8650551 0.84 DGKA (0.39) ALDH1A1TSHRLMNAHDAC1HDAC2
SCHEMBL8648712 0.84 ALDH1A1 (0.47) 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 964 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-117466794-A Synthesis method of 3- (acetylmercapto) hexyl acetate 重庆欣欣向荣精细化工股份有限公司 2024-01-30 CN claimed
US-10920176-B2 Transparent liquids, in particular fabric treatment agents, comprising perfume and microcapsules with an odor modulator compound HENKEL AG & CO. KGAA (DE) 2021-02-16 US claimed
WO-2020015880-A1 BI-PHASE DEODORIZING COSMETIC COMPOSITION BEIERSDORF AG (DE) 2020-01-23 WO claimed
EP-3350297-A1 TRANSPARENT LIQUIDS, IN PARTICULAR FABRIC TREATMENT AGENTS, CONTAINING PERFUME AND MICROCAPSULES WITH AN ODOR MODULATOR COMPOUND Henkel AG & Co. KGaA (DE) 2018-07-25 EP claimed
EP-3350296-A1 PERFUME COMPOSITION COMPRISING AN ODOR MODULATOR COMPOUND, AMINO ALCOHOL AND ODORIFEROUS ALDEHYDE AND/OR ODORIFEROUS KETONE FOR INCREASING AND PROLONGING ODOR INTENSITY Henkel AG & Co. KGaA (DE) 2018-07-25 EP claimed
EP-3350295-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) 2018-07-25 EP claimed
EP-3349861-A1 PERFUME COMPOSITION COMPRISING FRAGRANCE MODULATOR COMPOUNDS AND SILICIC ACID ESTERS FOR INCREASING AND PROLONGING THE INTENSITY OF FRAGRANCE Henkel AG & Co. KGaA (DE) 2018-07-25 EP claimed
US-20180201883-A1 TRANSPARENT LIQUIDS, IN PARTICULAR FABRIC TREATMENT AGENTS, COMPRISING PERFUME AND MICROCAPSULES WITH AN ODOR MODULATOR COMPOUND HENKEL AG & CO. KGAA (DE) 2018-07-19 US claimed
WO-2011147455-A1 FLAVORING SUBSTANCE-INCLUDED COMPOUNDS SYMRISE AG (DE) 2011-12-01 WO claimed
JP-10087604-A None JP disclosed
US-12630781-B2 Fragrance or flavour mixture SYMRISE AG (DE) 2026-05-19 US disclosed
US-12630783-B2 Muguet type fragrance compounds SYMRISE AG (DE) 2026-05-19 US disclosed
US-12625123-B2 Device and method for the analytical and sensory determination of the release of an active substance from a release system SYMRISE AG (DE) 2026-05-12 US disclosed
US-20020055453-A1 Novel macrocyclic ketones SYMRISE GMBH & CO. KG (DE) 2002-05-09 US disclosed
US-20010005711-A1 Perfume compositions comprising 4,8-dimethyl-3,7-nonadien-2-one SYMRISE GMBH & CO. KG (DE) 2001-06-28 US disclosed
WO-2001043784-A2 ODOR NEUTRALIZERS HAARMANN & REIMER GMBH (DE) 2001-06-21 WO disclosed
US-5830846-A FOODS, COSMETICS HAARMANN & REIMER GMBH (DE) 1998-11-03 US disclosed
JP-H1087604-A USE OF 3-ACYLTHIOHEXYL AS AROMATIC SUBSTANCE AND FRAGRANCE GENERATING SUBSTANCE HAARMANN & REIMER GMBH 1998-04-07 JP 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 (6 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-20010005711-A1 Perfume compositions comprising 4,8-dimethyl-3,7-nonadien-2-one DEK, DPM1, DEGS1 ALDH1A1 1546/4885TSHR 4800/4885ALOX15 868/4885
US-12630783-B2 Muguet type fragrance compounds MGAT1, RFT1, CPT1A ALDH1A1 132/4885TSHR 4543/4885ALOX15 2424/4885
US-12625123-B2 Device and method for the analytical and sensory determination of the release of an active substance from a release system TAS2R7, TAS2R42, TAS2R39 ALDH1A1 696/4885TSHR 1280/4885ALOX15 4378/4885
US-12630781-B2 Fragrance or flavour mixture NOTUM, FFAR2, FFAR1 ALDH1A1 79/4885TSHR 1719/4885ALOX15 20/4885
US-20020055453-A1 Novel macrocyclic ketones FASN, KCNK5, NOTUM ALDH1A1 762/4885TSHR 4568/4885ALOX15 49/4885
US-10920176-B2 Transparent liquids, in particular fabric treatment agents, comprising perfume and microcapsules with an odor modulator compound NEFM, TRPA1, ALOX5 ALDH1A1 2979/4885TSHR 3554/4885ALOX15 31/4885

“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.