SCHEMBL453825

SCHEMBL453825

CC(C)c1cccc(CC=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.44
HDAC4 P56524 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MDM4 O15151 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
CA5A P35218 1/20 0.44
HTT P42858 1/20 0.44
MDM2 Q00987 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA9 Q16790 1/20 0.44
HDAC2 Q92769 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
SCHEMBL27550642 0.84 HDAC4 (0.40) TYRHDAC4HDAC8KDM4EMDM4
SCHEMBL31634534 0.83 TYR (0.41) TYRHDAC4HDAC8KDM4EMDM4
SCHEMBL27629476 0.83 HDAC4 (0.41) TYRHDAC4HDAC8KDM4EMDM4
SCHEMBL4227993 0.83 TYR (0.41) TYRHDAC4HDAC8KDM4EMDM4
SCHEMBL8018353 0.82 PTGS2 (0.50) TYRHDAC4HDAC8KDM4EMDM4
SCHEMBL28837062 0.81 MRGPRX4 (0.54) BCHERXRARXRBMRGPRX4
SCHEMBL16167429 0.81 HDAC4 (0.38) TYRHDAC4HDAC8KDM4EMDM4
SCHEMBL694929 0.80 PTGS2 (0.56) KDM4EALDH1A1CYP3A4MAPTHPGD
SCHEMBL6572567 0.80 HDAC4 (0.39) TYRHDAC4HDAC8KDM4EMDM4
SCHEMBL229402 0.79 TP53 (0.46) TYRHDAC4HDAC8KDM4EMDM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250325463-A1 COMPOSITIONS (III) SYMRISE AG (DE) 2025-10-23 US claimed
EP-4602141-A1 A FRAGRANCE MIXTURE (VI) Symrise AG (DE) 2025-08-20 EP claimed
EP-4532646-A1 A FRAGRANCE MIXTURE (V) Symrise AG (DE) 2025-04-09 EP claimed
US-20250099349-A1 A FRAGRANCE MIXTURE SYMRISE AG (DE) 2025-03-27 US claimed
EP-4519403-A1 A FRAGRANCE MIXTURE (V) Symrise AG (DE) 2025-03-12 EP claimed
EP-4473079-A1 A FRAGRANCE MIXTURE Symrise AG (DE) 2024-12-11 EP claimed
EP-4472606-A1 COMPOSITIONS (III) Symrise AG (DE) 2024-12-11 EP claimed
US-20240358611-A1 COMPOSITIONS SYMRISE AG (DE) 2024-10-31 US claimed
EP-4429465-A1 COMPOSITIONS COMPRISING TRPM8 AGONISTIC COOLING AGENTS Symrise AG (DE) 2024-09-18 EP claimed
EP-4387587-A1 COMPOSITIONS Symrise AG (DE) 2024-06-26 EP 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
EP-2440643-A1 ODOR-IMPARTING DETERGENT, CLEANING OR CARE PRODUCT Henkel AG & Co. KGaA (DE) 2012-04-18 EP 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
WO-2010142480-A1 ODOR-IMPARTING DETERGENT, CLEANING OR CARE PRODUCT HENKEL AG & CO. KGAA (DE) 2010-12-16 WO claimed
WO-2010142481-A1 ODOR-IMPARTING DETERGENT, CLEANING OR CARE PRODUCT HENKEL AG & CO. KGAA (DE) 2010-12-16 WO claimed
US-20060205632-A1 Pro-fragrance and pro-flavorant compositions FLEXITRAL, INC. 2006-09-14 US claimed
US-6844302-B1 Encapsulated flavor and fragrance INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2005-01-18 US 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 (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-20120309669-A1 STABILIZED PERFUME OILS CUTA, ALB, AADAT TYR 674/4885HDAC4 4524/4885HDAC8 3315/4885
US-20240358611-A1 COMPOSITIONS AZI2, NISCH, CIP2A TYR 568/4885HDAC4 628/4885HDAC8 1524/4885
US-20110237685-A1 PHOTOLABILE FRAGRANCE STORAGE SUBSTANCES TRPA1, NISCH, ALDH18A1 TYR 153/4885HDAC4 4179/4885HDAC8 4272/4885
US-20250099349-A1 A FRAGRANCE MIXTURE PTMS, EP300, TRPA1 TYR 470/4885HDAC4 507/4885HDAC8 478/4885
US-20060205632-A1 Pro-fragrance and pro-flavorant compositions TAS2R10, TAS2R9, OR10J3 TYR 584/4885HDAC4 1251/4885HDAC8 1539/4885
US-20250325463-A1 COMPOSITIONS (III) NISCH, TAS1R3, TAS2R3 TYR 83/4885HDAC4 1244/4885HDAC8 2583/4885

“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.