SCHEMBL454717

SCHEMBL454717

CC(C)c1ccc(C(C)C=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.58
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 1/20 0.42
MGLL Q99685 1/20 0.40
CYP2C9 P11712 3/20 0.39
CYP2D6 P10635 1/20 0.39
HIF1A Q16665 1/20 0.39
HTT P42858 1/20 0.38
PIM1 P11309 1/20 0.37
POLB P06746 1/20 0.37
IDO1 P14902 2/20 0.37
USP5 P45974 1/20 0.36
NFKB1 P19838 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL874206 1.00 TYR (0.58) TYRKDM4EMAPK1MGLLCYP2C9
Methane SCHEMBL28983045 0.97 TYR (0.56) TYRKDM4EMAPK1MGLLCYP2C9
SCHEMBL21628043 0.92 TYR (0.46) TYRKDM4EMAPK1MGLL
SCHEMBL22992438 0.85 TYR (0.43) TYRMAPK1CYP2C9HIF1AHTT
SCHEMBL96817 0.85 ADRB2 (0.50) TYRMAPK1HIF1APOLBIDO1
SCHEMBL11815736 0.85 ADRB2 (0.50) TYRMAPK1HIF1APOLBIDO1
SCHEMBL29595346 0.84 TYR (0.41) TYR
SCHEMBL4831627 0.82 CYP2A6 (0.44) TYRHTTALDH1A1LMNAGAA
SCHEMBL1532439 0.82 CYP2A6 (0.44) TYRHTTALDH1A1LMNAGAA
SCHEMBL872965 0.82 CYP2A6 (0.44) TYRHTTALDH1A1LMNAGAA

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 863 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
CN-119968452-A Perfume mixture (VI) 西姆莱斯股份公司 2025-05-09 CN claimed
CN-119790128-A Perfume mixture (III) 西姆莱斯股份公司 2025-04-08 CN claimed
CN-119317695-A Perfume mixture (V) 西姆莱斯股份公司 2025-01-14 CN claimed
CN-119317696-A Perfume mixture (V) 西姆莱斯股份公司 2025-01-14 CN claimed
CN-118829416-A Composition (III) 西姆莱斯股份公司 2024-10-22 CN 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
CN-117813077-A Composition and method for producing the same 西姆莱斯股份公司 2024-04-02 CN claimed
US-20230099941-A1 BAD-ODOR CONTROL USING ENCAPSULATION TECHNOLOGIES CONTAINING A NEUTRALIZING AGENT HENKEL AG & CO. KGAA (DE) 2023-03-30 US claimed
CN-101472874-A Fragrance compounds GIVAUDAN SA (CH) 2009-07-01 CN claimed
EP-2032516-A1 FRAGRANCE COMPOUNDS Givaudan SA (CH) 2009-03-11 EP claimed
US-20080305063-A1 1-aza-3,7-dioxabicyclo[3.3.0]octane compounds and their use as pro-fragrances HENKEL AG & CO. KGAA (DE) 2008-12-11 US 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-2007143873-A1 FRAGRANCE COMPOUNDS GIVAUDAN SA (CH) 2007-12-21 WO 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
US-20060205632-A1 Pro-fragrance and pro-flavorant compositions FLEXITRAL, INC. 2006-09-14 US claimed
EP-0980863-A1 Oxime carboxylic acid derivatives Givaudan Roure (International) S.A. (CH) 2000-02-23 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 (2 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-20080305063-A1 1-aza-3,7-dioxabicyclo[3.3.0]octane compounds and their use as pro-fragrances AZI2, CUTA, DNMT1 TYR 653/4885KDM4E 410/4885MAPK1 1999/4885
US-20060205632-A1 Pro-fragrance and pro-flavorant compositions TAS2R10, TAS2R9, OR10J3 TYR 584/4885KDM4E 2618/4885MAPK1 2995/4885

“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.