SCHEMBL454224

SCHEMBL454224

CCCCCC(=O)C=C(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.52
CES2 O00748 4/20 0.50
CES1 P23141 4/20 0.50
AKR1B1 P15121 1/20 0.48
HSP90AA1 P07900 1/20 0.46
GPR84 Q9NQS5 7/20 0.46
PPARG P37231 7/20 0.46
PPARD Q03181 7/20 0.46
PPARA Q07869 7/20 0.46
HDAC11 Q96DB2 5/20 0.46
TSHR P16473 4/20 0.46
PTPN1 P18031 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TLR2 O60603 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
FABP4 P15090 2/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
MEN1 O00255 1/20 0.46
ESR1 P03372 1/20 0.46

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
SCHEMBL4422427 0.98 CES2 (0.52) TRPA1CES2CES1HSP90AA1GPR84
SCHEMBL11746072 0.98 CES2 (0.52) TRPA1CES2CES1HSP90AA1GPR84
SCHEMBL17867061 0.98 CES2 (0.52) TRPA1CES2CES1HSP90AA1GPR84
SCHEMBL11747932 0.98 CES2 (0.52) TRPA1CES2CES1HSP90AA1GPR84
SCHEMBL3912771 0.98 CES2 (0.52) TRPA1CES2CES1HSP90AA1GPR84
Ammonia Solution, Strong SCHEMBL27538867 0.98 TRPA1 (0.50) TRPA1CES2CES1AKR1B1HSP90AA1
Oxalic Acid SCHEMBL1013866 0.94 AKR1B1 (0.48) TRPA1CES2CES1AKR1B1GPR84
SCHEMBL3635304 0.93 CES1 (0.48) TRPA1CES2CES1AKR1B1HSP90AA1
SCHEMBL19599287 0.84 TRPA1 (0.50) TRPA1CES2CES1AKR1B1HSP90AA1
SCHEMBL17129994 0.84 TRPA1 (0.50) TRPA1CES2CES1AKR1B1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12398341-B2 Apparatus and compositions for improving scent delivery THE PROCTER & GAMBLE COMPANY (US) 2025-08-26 US claimed
US-12247180-B2 Apparatus and compositions for improving scent delivery THE PROCTER & GAMBLE COMPANY (US) 2025-03-11 US claimed
EP-4106822-B1 COMPOSITION COMPRISING MICRO-ENCAPSULATED MALODOR CONTROL AGENTS AND THEIR USE FOR REDUCING MALODORS HENKEL AG & CO KGAA (DE) 2024-04-17 EP claimed
EP-3800184-B1 ACETAL / KETAL-BASED FRAGRANCE AND INSECT REPELLENT PRECURSOR COMPOUNDS HENKEL AG & CO KGAA (DE) 2024-04-03 EP claimed
US-20230099941-A1 BAD-ODOR CONTROL USING ENCAPSULATION TECHNOLOGIES CONTAINING A NEUTRALIZING AGENT HENKEL AG & CO. KGAA (DE) 2023-03-30 US claimed
US-11542457-B2 Hydrolytically labile heterocycles of odoriferous ketones or odoriferous aldehydes HENKEL AG & CO. KGAA (DE) 2023-01-03 US claimed
EP-4106822-A1 BAD-ODOR CONTROL USING ENCAPSULATION TECHNOLOGIES CONTAINING NEUTRALIZING AGENT Henkel AG & Co. KGaA (DE) 2022-12-28 EP claimed
EP-3383359-B1 A FRAGRANCE COMPOSITION SYMRISE AG (DE) 2022-08-03 EP claimed
US-11352587-B2 Fragrance mixtures SYMRISE AG (DE) 2022-06-07 US claimed
US-20220002632-A1 APPARATUS AND COMPOSITIONS FOR IMPROVING SCENT DELIVERY THE PROCTER AND GAMBLE COMPANY 2022-01-06 US claimed
EP-2536469-A1 STABILIZED PERFUME OILS Henkel AG & Co. KGaA (DE) 2012-12-26 EP claimed
US-20120309669-A1 STABILIZED PERFUME OILS HENKEL AG & CO. KGAA (DE) 2012-12-06 US claimed
EP-1976855-B1 1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE COMPOUNDS AND THEIR USE AS PRO-FRAGRANCES HENKEL AG & CO KGAA (DE) 2012-08-15 EP claimed
WO-2012084292-A1 PERFUME COMPOSITION COMPRISING FRAGRANCE ALDEHYDE OR KETONE AND OXAZOLIDINE FRAGRANCE PRECURSOR HENKEL AG & CO. KGAA (DE) 2012-06-28 WO claimed
US-20110237685-A1 PHOTOLABILE FRAGRANCE STORAGE SUBSTANCES HENKEL AG & CO. KGAA (DE) 2011-09-29 US claimed
WO-2011101182-A1 STABILIZED PERFUME OILS HENKEL AG & CO. KGAA (DE) 2011-08-25 WO 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
EP-0141569-B1 PERFUMERY COMPOUNDS AND THEIR PREPARATION BUSH BOAKE ALLEN Limited (GB) 1988-12-21 EP 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 (5 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-20120309669-A1 STABILIZED PERFUME OILS CUTA, ALB, AADAT TRPA1 125/4885CES2 1839/4885CES1 3004/4885
US-11542457-B2 Hydrolytically labile heterocycles of odoriferous ketones or odoriferous aldehydes CAT, AOX1, HOGA1 TRPA1 276/4885CES2 510/4885CES1 966/4885
US-11352587-B2 Fragrance mixtures DHCR24, FAM120A, TRPA1 TRPA1 3/4885CES2 57/4885CES1 352/4885
US-20110237685-A1 PHOTOLABILE FRAGRANCE STORAGE SUBSTANCES TRPA1, NISCH, ALDH18A1 TRPA1 1/4885CES2 58/4885CES1 532/4885
US-20060205632-A1 Pro-fragrance and pro-flavorant compositions TAS2R10, TAS2R9, OR10J3 TRPA1 42/4885CES2 2699/4885CES1 3882/4885

“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.