SCHEMBL454132

SCHEMBL454132

CC1=C(CCC(C)C=O)C(C)(C)CCC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RARB P10826 2/20 0.41
RARG P13631 2/20 0.41
RXRA P19793 2/20 0.41
RARA P10276 1/20 0.41
TRPA1 O75762 5/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.37
ALOX5 P09917 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP1A2 P05177 1/20 0.36
ACE2 Q9BYF1 3/20 0.34
PDCD1 Q15116 2/20 0.34
CD274 Q9NZQ7 2/20 0.34
HAO1 Q9UJM8 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
SCHEMBL3146722 1.00 ALDH1A1 (0.42) ALDH1A1GAAMAPTNPSR1RARB
SCHEMBL4913470 1.00 ALDH1A1 (0.42) ALDH1A1GAAMAPTNPSR1RARB
SCHEMBL13554953 0.84 ALDH1A1 (0.41) ALDH1A1GAAMAPTNPSR1RARB
Cinnamaldehyde SCHEMBL15602703 0.83 RARB (0.41) ALDH1A1GAAMAPTNPSR1RARB
SCHEMBL23903751 0.82 ALDH1A1 (0.40) ALDH1A1GAAMAPTNPSR1RARB
SCHEMBL14164361 0.82 RARB (0.40) ALDH1A1GAAMAPTNPSR1RARB
SCHEMBL21757486 0.82 MEN1 (0.38) ALDH1A1GAAMAPTNPSR1RARB
SCHEMBL18727653 0.82 ALDH1A1 (0.43) ALDH1A1GAAMAPTNPSR1RARB
SCHEMBL9213310 0.81 RARB (0.39) ALDH1A1GAAMAPTNPSR1RARB
SCHEMBL2039596 0.80 RARB (0.45) ALDH1A1GAAMAPTNPSR1RARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025045354-A1 A FRAGRANCE TABLET SYMRISE AG (DE) 2025-03-06 WO claimed
EP-4438065-A2 A MIXTURE COMPRISING 1,2-ALKANEDIOLS Symrise AG (DE) 2024-10-02 EP 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
US-20200331935-A1 HYDROLYTICALLY LABILE SILYL ENOL ETHER FRAGRANCE KETONES OR ALDEHYDES HENKEL AG & CO. KGAA (DE) 2020-10-22 US claimed
EP-3713921-A1 HYDROLYTICALLY LABILE HETEROCYCLES OF ODORIFEROUS KETONES OR ODORIFEROUS ALDEHYDES Henkel AG & Co. KGaA (DE) 2020-09-30 EP claimed
US-20200283697-A1 HYDROLYTICALLY LABILE HETEROCYCLES OF ODORIFEROUS KETONES OR ODORIFEROUS ALDEHYDES HENKEL AG & CO. KGAA (DE) 2020-09-10 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
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
US-5540910-A Non-malodorous hair perming method L'OREAL (FR) 1996-07-30 US claimed
EP-0562078-B1 NON-MALODOROUS HAIR PERMING METHOD OREAL (FR) 1995-10-04 EP claimed
EP-0525579-B1 Process for preparing substituted hexemic acids GIVAUDAN ROURE INT (CH) 1995-09-20 EP claimed
US-5292902-A Process for the manufacture of odorants and intermediates used therein GIVAUDAN-ROURE CORPORATION (US) 1994-03-08 US claimed
WO-1993005758-A1 NON-MALODOROUS HAIR PERMING METHOD L'OREAL (FR) 1993-04-01 WO claimed
EP-0525579-A2 Process for preparing substituted hexemic acids GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1993-02-03 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-11542457-B2 Hydrolytically labile heterocycles of odoriferous ketones or odoriferous aldehydes CAT, AOX1, HOGA1 ALDH1A1 22/4885GAA 340/4885MAPT 3969/4885
US-20200283697-A1 HYDROLYTICALLY LABILE HETEROCYCLES OF ODORIFEROUS KETONES OR ODORIFEROUS ALDEHYDES CAT, AOX1, HOGA1 ALDH1A1 28/4885GAA 349/4885MAPT 3998/4885
US-20060205632-A1 Pro-fragrance and pro-flavorant compositions TAS2R10, TAS2R9, OR10J3 ALDH1A1 1201/4885GAA 4182/4885MAPT 3009/4885
US-20200331935-A1 HYDROLYTICALLY LABILE SILYL ENOL ETHER FRAGRANCE KETONES OR ALDEHYDES LCT, LIPA, DERL1 ALDH1A1 60/4885GAA 40/4885MAPT 3571/4885

“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.