SCHEMBL454446

SCHEMBL454446

Cc1cccc(CCC=O)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
TAAR1 Q96RJ0 1/20 0.36
TRPA1 O75762 1/20 0.35
ATM Q13315 1/20 0.35
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
P2RX7 Q99572 1/20 0.33
GPR52 Q9Y2T5 1/20 0.33
KEAP1 Q14145 1/20 0.32

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
SCHEMBL30297613 1.00 ESR1 (0.39) ESR1ESR2TAAR1TRPA1ATM
SCHEMBL27756970 0.89 ESR1 (0.37) ESR1ESR2TAAR1TRPA1ATM
SCHEMBL67347 0.83 TAAR1 (0.54) TAAR1TSHRALDH1A1GAACDK4
SCHEMBL29953703 0.81 TAAR1 (0.34) TAAR1TSHRALDH1A1GPR52CDK4
SCHEMBL1028807 0.81 TAAR1 (0.34) TAAR1TSHRALDH1A1GPR52CDK4
SCHEMBL28022828 0.81 ALDH1A1 (0.39) TAAR1ALDH1A1MAPTP2RX7
SCHEMBL16963763 0.81 ALDH1A1 (0.46) TAAR1TRPA1ALDH1A1HSD17B10GPR84
SCHEMBL30231281 0.80 ESR1 (0.47) ESR1ESR2TAAR1TRPA1ATM
SCHEMBL6547407 0.80 ESR1 (0.47) ESR1ESR2TAAR1TRPA1ATM
SCHEMBL8802215 0.80 CDK4 (0.35) TSHRALDH1A1CDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3800184-B1 ACETAL / KETAL-BASED FRAGRANCE AND INSECT REPELLENT PRECURSOR COMPOUNDS HENKEL AG & CO KGAA (DE) 2024-04-03 EP claimed
CN-117813077-A Composition and method for producing the same 西姆莱斯股份公司 2024-04-02 CN claimed
EP-4106822-A1 BAD-ODOR CONTROL USING ENCAPSULATION TECHNOLOGIES CONTAINING NEUTRALIZING AGENT Henkel AG & Co. KGaA (DE) 2022-12-28 EP claimed
EP-2809760-B1 PROCESS FOR REDUCING MALODOURS HENKEL AG & CO KGAA (DE) 2019-03-20 EP claimed
CN-108430445-A Spice composition 西姆莱斯股份公司 2018-08-21 CN claimed
EP-3080238-B1 AUTOMATIC DISHWASHER DETERGENTS CONTAINING OXAZOLIDINE ODORIFEROUS SUBSTANCE PRECURSORS HENKEL AG & CO KGAA (DE) 2018-02-28 EP claimed
CN-104334701-B Flavor compositions 花王株式会社 2016-08-31 CN claimed
US-8466294-B2 1-aza-3,7-dioxabicyclo[3.3.0]octane compounds and their use as pro-fragrances HENKEL AG & CO. KGAA (DE) 2013-06-18 US claimed
EP-1761620-B1 PERFUMED LIQUID LAUNDRY DETERGENT COMPOSITIONS WITH FUNCTIONALIZED SILICONE FABRIC CARE AGENTS PROCTER & GAMBLE (US) 2009-07-29 EP claimed
EP-1848702-A2 PRO-FRAGRANCE AND PRO-FLAVORANT COMPOSITIONS Flexitral, Inc. (US) 2007-10-31 EP claimed
US-20060205632-A1 Pro-fragrance and pro-flavorant compositions FLEXITRAL, INC. 2006-09-14 US claimed
WO-2006085048-A2 PRO-FRAGRANCE AND PRO-FLAVORANT COMPOSITIONS FLEXITRAL, INC. (US) 2006-08-17 WO claimed
US-5897961-A USEFUL FOR INK JET PRINTING AND ELECTROSTATIC PRINTING XEROX CORPORATION (US) 1999-04-27 US claimed
US-20250065005-A1 VOLATILE COMPOSITION DISPENSER WITH CARTRIDGE FOR MULTIPLE VOLATILE COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2025-02-27 US disclosed
CN-114007660-B Refreshing composition and method for atomizing refreshing composition by using heat-activated microfluidic cartridge 宝洁公司 2024-07-05 CN disclosed
CN-114555552-B Aldehyde compound, process for producing the same, and perfume composition 三菱瓦斯化学株式会社 2024-06-14 CN disclosed
WO-1998046631-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR ELI LILLY AND COMPANY (US) 1998-10-22 WO disclosed
WO-1998035650-A1 SPRAY COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-08-20 WO disclosed
WO-1998035651-A1 SPRAY COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-08-20 WO disclosed
WO-1998027093-A1 COMBINATORIAL PROCESS FOR PREPARING HYDROFUROQUINOLINE LIBRARIES ELI LILLY AND COMPANY (US) 1998-06-25 WO 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 (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-20060205632-A1 Pro-fragrance and pro-flavorant compositions TAS2R10, TAS2R9, OR10J3 ESR1 893/4885ESR2 1072/4885TAAR1 466/4885

“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.