SCHEMBL1782075

SCHEMBL1782075

CC(=O)C1=C(C)CCCC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
HAO1 Q9UJM8 1/20 0.41
RARB P10826 9/20 0.40
RARG P13631 8/20 0.40
ALDH1A1 P00352 7/20 0.40
RXRA P19793 7/20 0.40
RARA P10276 7/20 0.40
MAPT P10636 4/20 0.40
PTGS1 P23219 4/20 0.40
CYP3A4 P08684 4/20 0.40
RXRB P28702 3/20 0.40
RXRG P48443 3/20 0.40
RORC P51449 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
MAPK1 P28482 2/20 0.40
HTR2B P41595 2/20 0.40
BLM P54132 2/20 0.40
HIF1A Q16665 2/20 0.40
DRD3 P35462 2/20 0.40
LMNA P02545 2/20 0.40

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
SCHEMBL8034537 0.85 CYP1A2 (0.49) CYP1A2HAO1RARBRARGALDH1A1
SCHEMBL9342959 0.83 CYP1A2 (0.51) CYP1A2HAO1RARBRARGALDH1A1
SCHEMBL3980038 0.82 CYP1A2 (0.46) CYP1A2HAO1RARBRARGALDH1A1
SCHEMBL9838256 0.82 CYP1A2 (0.46) CYP1A2HAO1RARBRARGALDH1A1
SCHEMBL9244543 0.80 CYP1A2 (0.45) CYP1A2HAO1RARBRARGALDH1A1
SCHEMBL9244539 0.80 CYP1A2 (0.45) CYP1A2HAO1RARBRARGALDH1A1
SCHEMBL11448119 0.80 CYP1A2 (0.45) CYP1A2HAO1RARBRARGALDH1A1
SCHEMBL11328784 0.80 HAO1 (0.42) CYP1A2HAO1RARBRARGALDH1A1
SCHEMBL18116771 0.80 CYP1A2 (0.45) CYP1A2HAO1RARBRARGALDH1A1
SCHEMBL3641236 0.79 CYP1A2 (0.36) CYP1A2HAO1RARBRARGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025120108-A1 ISOMERIZATION PROCESS FIRMENICH SA (CH) 2025-06-12 WO claimed
CN-110746283-A Synthesis process of β -damascone 新乡市博源生物科技有限公司 2020-02-04 CN claimed
JP-4268806-B2 2009-05-27 JP claimed
EP-1395542-B1 CATALYTIC SYSTEM FOR ALDOL REACTIONS FIRMENICH & CIE (CH) 2006-08-16 EP claimed
US-6838575-B2 Catalytic system for aldol reactions FIRMENICH SA (CH) 2005-01-04 US claimed
JP-2004529190-A 2004-09-24 JP claimed
US-20040082818-A1 Catalytic system for aldol reactions FIRMENICH SA (CH) 2004-04-29 US claimed
EP-1395542-A1 CATALYTIC SYSTEM FOR ALDOL REACTIONS FIRMENICH SA (CH) 2004-03-10 EP claimed
WO-2002094755-A1 CATALYTIC SYSTEM FOR ALDOL REACTIONS FIRMENICH SA (CH) 2002-11-28 WO claimed
US-4217252-A Perfume compositions containing 1-acyl-2,6,6-trimethylcyclohexene derivatives INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1980-08-12 US claimed
US-4215704-A Use in smoking tobacco compositions and smoking tobacco articles of 1-acyl-2,6,6-trimethylcyclohexene derivatives INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1980-08-05 US claimed
US-4210553-A Detergent compositions containing 1-acyl-2,6,6-trimethylcyclohexene derivatives and processes for preparing same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1980-07-01 US claimed
US-4209542-A Process for augmenting or enhancing the aroma or taste of a foodstuff by adding to a foodstuff a mixture of 1-acyl-2,6,6-trimethylcyclohexene derivatives INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1980-06-24 US claimed
WO-2026047126-A1 ISOMERIZATION OF 2,6,6-TRIMETHYLCYCLOHEX-1 OR 2-ENYL KETONES OR ESTERS CATALYZED BY STRONG BASE FIRMENICH SA (CH) 2026-03-05 WO disclosed
WO-2025120108-A1 ISOMERIZATION PROCESS FIRMENICH SA (CH) 2025-06-12 WO disclosed
EP-2768307-B1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS INC (US) 2020-03-18 EP disclosed
US-4209542-A Process for augmenting or enhancing the aroma or taste of a foodstuff by adding to a foodstuff a mixture of 1-acyl-2,6,6-trimethylcyclohexene derivatives INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1980-06-24 US disclosed
US-4196306-A 1-Acyl-2,6,6-trimethylcyclohexene derivatives, processes for producing same, intermediates therefor and organoleptic uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1980-04-01 US disclosed
US-4172850-A CATALYTIC HYDROGENATION OF ACYCLCYCLOHEXADIENE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-10-30 US disclosed
US-3954804-A Production of high molecular weight unsaturated ketones BASF AKTIENGESELLSCHAFT (DT) 1976-05-04 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 (1 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-20040082818-A1 Catalytic system for aldol reactions AKR1B10, AGL, AKR1C2 CYP1A2 161/4885HAO1 1033/4885RARB 4030/4885

“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.