SCHEMBL453540

SCHEMBL453540

CC(C=O)Cc1ccccc1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
GABRA1 P14867 3/20 0.38
GABRB2 P47870 2/20 0.38
ELANE P08246 1/20 0.37
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
FAAH O00519 2/20 0.34
SLC6A2 P23975 2/20 0.34
LMNA P02545 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
GABRB1 P18505 1/20 0.34
PTGS1 P23219 1/20 0.34
HTR2C P28335 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34

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
SCHEMBL29440901 1.00 TSHR (0.41) TSHRTP53GABRA1GABRB2ELANE
SCHEMBL5710876 1.00 TSHR (0.41) TSHRTP53GABRA1GABRB2ELANE
SCHEMBL5944182 0.84 TSHR (0.38) TSHRTP53GABRA1GABRB2ELANE
SCHEMBL28466587 0.80 GABRA1 (0.47) TSHRTP53GABRA1GABRB2ELANE
SCHEMBL7933543 0.78 TSHR (0.42) TSHRTP53ELANESLC6A2CYP3A4
SCHEMBL6681972 0.77 GABRA1 (0.52) TSHRGABRA1GABRB2GABRG2GABRB3
SCHEMBL16463838 0.77 SLC6A2 (0.46) TSHRTP53SLC6A2LMNATAAR1
SCHEMBL6153079 0.77 ALDH1A1 (0.41) TSHRTP53ELANESLC6A2LMNA
SCHEMBL3272345 0.77 TSHR (0.45) TSHRTP53GABRA1GABRB2ELANE
SCHEMBL14640355 0.77 ALDH1A1 (0.41) TSHRTP53ELANESLC6A2LMNA

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 842 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
WO-2008145470-A1 INHIBITION OF DISCOLORATION BY WASHING AND CLEANING AGENTS AND/OR COSMETIC AGENTS HENKEL AG & CO. KGAA (DE) 2008-12-04 WO claimed
EP-1976855-A1 1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE COMPOUNDS AND THEIR USE AS PRO-FRAGRANCES Henkel AG & Co. KGaA (DE) 2008-10-08 EP claimed
WO-2008074598-A1 1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE COMPOUNDS AND MONOCYCLIC OXAZOLIDINES FROM PRO-FRAGRANCES HENKEL AG & CO. KGAA (DE) 2008-06-26 WO claimed
CN-101184744-A Aroma precursor and flavor precursor composition FLEXITRAL INC (US) 2008-05-21 CN claimed
WO-2007087977-A1 1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE COMPOUNDS AND THEIR USE AS PRO-FRAGRANCES HENKEL AG & CO. KGAA (DE) 2007-08-09 WO claimed
WO-2007083164-A2 LIQUID ELECTROSTATIC SPRAY COMPOSITION AERSTREAM TECHNOLOGY LIMITED (GB) 2007-07-26 WO claimed
US-20060205632-A1 Pro-fragrance and pro-flavorant compositions FLEXITRAL, INC. 2006-09-14 US claimed
US-20050245407-A1 Fragrance composition KAO CORPORATION (JP) 2005-11-03 US claimed
CN-1674862-A Perfume composition KAO CORP (JP) 2005-09-28 CN claimed
EP-1552814-A1 FRAGRANCE COMPOSITION Kao Corporation (JP) 2005-07-13 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 (4 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-20240358611-A1 COMPOSITIONS AZI2, NISCH, CIP2A TSHR 4086/4885TP53 2051/4885GABRA1 1493/4885
US-20250099349-A1 A FRAGRANCE MIXTURE PTMS, EP300, TRPA1 TSHR 4083/4885TP53 201/4885GABRA1 1449/4885
US-20060205632-A1 Pro-fragrance and pro-flavorant compositions TAS2R10, TAS2R9, OR10J3 TSHR 2205/4885TP53 1887/4885GABRA1 750/4885
US-20250325463-A1 COMPOSITIONS (III) NISCH, TAS1R3, TAS2R3 TSHR 2980/4885TP53 1407/4885GABRA1 923/4885

“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.