SCHEMBL105502

SCHEMBL105502

CC(C)CC(O)Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.52
TAAR1 Q96RJ0 4/20 0.50
SLC6A2 P23975 2/20 0.50
SIGMAR1 Q99720 2/20 0.50
MAOA P21397 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
CYP2A6 P11509 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
SLC18A2 Q05940 1/20 0.47
CYP2D6 P10635 1/20 0.47
ANPEP P15144 1/20 0.46
RNPEP Q9H4A4 1/20 0.46
DNPEP Q9ULA0 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MME P08473 1/20 0.45
ALPL P05186 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL7523892 1.00 TRPA1 (0.52) TRPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL7527686 1.00 TRPA1 (0.52) TRPA1TAAR1SLC6A2SIGMAR1MAOA
Fluoride SCHEMBL28017588 0.98 TRPA1 (0.50) TRPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL3091848 0.86 TRPA1 (0.52) TRPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL3091836 0.86 TRPA1 (0.52) TRPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL19739052 0.83 TRPA1 (0.48) TRPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL21703616 0.83 TRPA1 (0.48) TRPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL29066468 0.82 TRPA1 (0.44) TRPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL110013 0.82 TRPA1 (0.56) TRPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL1833635 0.81 TRPA1 (0.55) TRPA1TAAR1SLC6A2SIGMAR1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4711010-A2 PRO-PERFUME COMPOSITIONS Firmenich SA (CH) 2026-03-18 EP claimed
US-12509482-B2 3′-ketoglycoside compound for the slow release of a volatile alcohol GLYCOSCIENCE, S.L. (ES) 2025-12-30 US claimed
CN-115427421-B 3' -Ketoglycoside compounds for slow release of volatile alcohols 格莱克科学有限公司 2025-04-01 CN claimed
WO-2025013866-A1 METHOD FOR SUPPRESSING LEMON OFF-FLAVOR 味の素株式会社 2025-01-16 WO claimed
EP-4474483-A1 METHOD FOR SCREENING SUBSTANCE THAT SUPPRESSES 4-METHYLACETOPHENONE ODOR, AND METHOD FOR SUPPRESSING 4-METHYL ACETOPHENONE ODOR AJINOMOTO CO., INC. (JP) 2024-12-11 EP claimed
US-20240385174-A1 METHOD FOR SCREENING SUBSTANCE THAT SUPPRESSES 4-METHYLACETOPHENONE ODOR, AND METHOD FOR SUPPRESSING 4-METHYL ACETOPHENONE ODOR AJINOMOTO CO., INC. (JP) 2024-11-21 US claimed
CN-118632933-A Screening method for substance inhibiting odor of 4-methylacetophenone and method for inhibiting odor of 4-methylacetophenone 味之素株式会社 2024-09-10 CN claimed
US-20240147994-A1 ENHANCED YEASTICIDAL EFFICACY OF LACTIC ACID BASED ANTIMICROBIAL HANDWASH ECOLAB USA INC. 2024-05-09 US claimed
EP-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP claimed
EP-4257663-A1 FOOD CONTACT SURFACE SANITIZING LIQUID The Procter & Gamble Company (US) 2023-10-11 EP claimed
EP-2142631-A1 METHODS FOR TREATING FABRIC IN A DRYER The Dial Company (US) 2010-01-13 EP claimed
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-20090155873-A1 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-06-18 US claimed
US-20090139134-A1 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-06-04 US claimed
WO-2008134212-A1 METHODS FOR TREATING FABRIC IN A DRYER THE DIAL COMPANY (US) 2008-11-06 WO claimed
US-6844302-B1 Encapsulated flavor and fragrance INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2005-01-18 US claimed
EP-1056739-B1 NOVEL CYCLIC PRO-PERFUMES HAVING MODIFIABLE FRAGRANCE RAW MATERIAL ALCOHOL RELEASE RATE PROCTER & GAMBLE (US) 2003-05-02 EP claimed
US-6500797-B1 Process for preparing β-ketoester fragrance pro-accords from 1,3-dioxan-4,6-diones THE PROCTER & GAMBLE COMPANY 2002-12-31 US claimed
WO-2002094753-A1 OPTICALLY ACTIVE BENZYLALKYLCARBINOLS, THEIR PREPARATION AN D USE IN PERFUMERY RHODIA CHIREX, INC. (US) 2002-11-28 WO claimed
WO-2002057227-A2 PROCESS OF ENANTIOMERICALLY ENRICHED FLAVOR AND FRAGRANCE COMPONENTS RHODIA/CHIREX, INC. (US) 2002-07-25 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 (3 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-20090139134-A1 BIOFUEL PRODUCTION MGAM, DCXR, MANBA TRPA1 3765/4885TAAR1 1927/4885SLC6A2 4843/4885
US-20240147994-A1 ENHANCED YEASTICIDAL EFFICACY OF LACTIC ACID BASED ANTIMICROBIAL HANDWASH WASHC4, DERA, ADH1C TRPA1 355/4885TAAR1 2515/4885SLC6A2 2834/4885
US-12509482-B2 3′-ketoglycoside compound for the slow release of a volatile alcohol EBP, MGAT1, MGAT3 TRPA1 1897/4885TAAR1 1687/4885SLC6A2 3912/4885

“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.