SCHEMBL442745

SCHEMBL442745

CC(=O)C1=CC(C)(C)CCC1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL11372909 0.85 ALDH1A1 (0.31) ALDH1A1TDP1
SCHEMBL6641316 0.83 OAT (0.37) ALDH1A1TDP1
SCHEMBL14879756 0.80
SCHEMBL14879757 0.80
SCHEMBL19277433 0.79
SCHEMBL14879777 0.77 AKT1 (0.31) ALDH1A1TDP1
SCHEMBL26932418 0.77
SCHEMBL16010905 0.76 CYP1A2 (0.32)
SCHEMBL16010907 0.76 CYP1A2 (0.32)
SCHEMBL22563074 0.75 CTSK (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250368597-A1 PROCESS FOR THE INTRACYCLIC DOUBLE BOND ISOMERIZATION FIRMENICH & CIE (CH) 2025-12-04 US claimed
EP-4536622-A1 PROCESS FOR THE INTRACYCLIC DOUBLE BOND ISOMERIZATION Firmenich SA (CH) 2025-04-16 EP claimed
WO-2023237600-A1 PROCESS FOR THE INTRACYCLIC DOUBLE BOND ISOMERIZATION FIRMENICH SA (CH) 2023-12-14 WO claimed
US-10723971-B2 Acetals of 1-(3,3-dimethylcyclohex-1-enyl) ethanone, method for the production thereof and use of same in perfumery V. MANE FILS (FR) 2020-07-28 US claimed
US-20190276469-A1 Cyclic Ketals As Fragrance Precursor Compounds HENKEL AG & CO. KGAA (DE) 2019-09-12 US claimed
EP-3523414-A1 CYCLIC KETALS AS FRAGRANCE PRECURSOR COMPOUNDS Henkel AG & Co. KGaA (DE) 2019-08-14 EP claimed
EP-3233820-B1 NOVEL ACETALS OF 1-(3,3-DIMETHYLCYCLOHEX-1-ENYL) ETHANONE, METHOD FOR THE PRODUCTION THEREOF AND USE OF SAME IN PERFUMERY V MANE FILS (FR) 2019-05-15 EP claimed
WO-2018095814-A1 CYCLIC KETALS AS FRAGRANCE PRECURSOR COMPOUNDS HENKEL AG & CO. KGAA (DE) 2018-05-31 WO claimed
US-20170342343-A1 NOVEL ACETALS OF 1-(3,3-DIMETHYLCYCLOHEX-1-ENYL) ETHANONE, METHOD FOR THE PRODUCTION THEREOF AND USE OF SAME IN PERFUMERY V. MANE FILS (FR) 2017-11-30 US claimed
US-8674143-B2 Synthesis of green ketone intermediate DSM IP ASSETS, B.V. (NL) 2014-03-18 US claimed
US-20120283476-A1 SYNTHESIS OF GREEN KETONE INTERMEDIATE DSM IP ASSETS, B.V. (NL) 2012-11-08 US claimed
WO-2010043522-A1 SYNTHESIS OF GREEN KETONE INTERMEDIATE DSM IP ASSETS B.V. (NL) 2010-04-22 WO claimed
EP-0953562-A1 Beta, gamma-unsaturated delta-keto esters Givaudan Roure (International) S.A. (CH) 1999-11-03 EP claimed
US-20260078079-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING NORBORNANE AND NORBORNENE DERIVATIVES OSMO LABS PBC (US) 2026-03-19 US disclosed
US-20260069734-A1 FRESHENING COMPOSITIONS COMPRISING CONTROLLED RELEASE MODULATORS ARYLESSENCE INC (US) 2026-03-12 US disclosed
US-20260028554-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING AROMATIC DERIVATIVES OSMO LABS PBC (US) 2026-01-29 US disclosed
EP-0952142-A1 Compounds with protected hydroxy groups Givaudan Roure (International) S.A. (CH) 1999-10-27 EP disclosed
EP-0911315-A1 Beta-ketoester Givaudan Roure (International) S.A. (CH) 1999-04-28 EP disclosed
US-5276176-A Dehydration; reduction; acetylation; esterification catalyst INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1994-01-04 US disclosed
US-5234902-A Roses, woody odors INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1993-08-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20170342343-A1 NOVEL ACETALS OF 1-(3,3-DIMETHYLCYCLOHEX-1-ENYL) ETHANONE, METHOD FOR THE PRODUCTION THEREOF AND USE OF SAME IN PERFUMERY PDK3, ENO1, ECI1 ALDH1A1 124/4885TDP1 1802/4885
US-10723971-B2 Acetals of 1-(3,3-dimethylcyclohex-1-enyl) ethanone, method for the production thereof and use of same in perfumery PDK3, ENO1, DEK ALDH1A1 126/4885TDP1 2176/4885
US-20190276469-A1 Cyclic Ketals As Fragrance Precursor Compounds KCNK5, KLK5, KCNA1 ALDH1A1 1723/4885TDP1 3503/4885
US-20260028554-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING AROMATIC DERIVATIVES TAS2R42, TAS2R4, TAS2R41 ALDH1A1 868/4885TDP1 3441/4885
US-20250368597-A1 PROCESS FOR THE INTRACYCLIC DOUBLE BOND ISOMERIZATION IDO1, CYC1, IDH3A ALDH1A1 158/4885TDP1 3619/4885
US-20260069734-A1 FRESHENING COMPOSITIONS COMPRISING CONTROLLED RELEASE MODULATORS FFAR1, FFAR2, FFAR3 ALDH1A1 697/4885TDP1 4632/4885
US-20260078079-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING NORBORNANE AND NORBORNENE DERIVATIVES CBR1, CBR3, TAS2R1 ALDH1A1 804/4885TDP1 2948/4885

“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.