SCHEMBL813797

SCHEMBL813797

CCC(=O)CCC1C(C)CCCC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 2/20 0.37
CETP P11597 1/20 0.32
PTPN1 P18031 1/20 0.31
CDC25A P30304 1/20 0.31
DUSP3 P51452 1/20 0.31

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
SCHEMBL2463622 0.91 UGT2B7 (0.39) UGT2B7CDC25A
SCHEMBL813842 0.89 UGT2B7 (0.36) UGT2B7CETPPTPN1CDC25ADUSP3
SCHEMBL10715339 0.89 UGT2B7 (0.36) UGT2B7CETPPTPN1CDC25ADUSP3
SCHEMBL10712409 0.89 UGT2B7 (0.36) UGT2B7CETPPTPN1CDC25ADUSP3
SCHEMBL14850614 0.89 UGT2B7 (0.36) UGT2B7CETPPTPN1CDC25ADUSP3
SCHEMBL5356532 0.83 PTPN1 (0.32) UGT2B7PTPN1CDC25ADUSP3
SCHEMBL1149570 0.83 UGT2B7 (0.38) UGT2B7CETPPTPN1
SCHEMBL2707186 0.83 UGT2B7 (0.51) UGT2B7CETPPTPN1CDC25ADUSP3
SCHEMBL8202623 0.83 UGT2B7 (0.35) UGT2B7CETPCDC25A
SCHEMBL28905336 0.82 UGT2B7 (0.38) UGT2B7CETPPTPN1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067644-B2 Process for conducting an organic reaction in ionic liquids THE PROCTER & GAMBLE COMPANY (US) 2011-11-29 US claimed
US-20110152566-A1 Process for Conducting an Organic Reaction in Ionic Liquids THE PROCTER & GAMBLE COMPANY 2011-06-23 US claimed
CN-107406405-B Acetal of 1- (3, 3-dimethylcyclohex-1-enyl) ethanone, preparation method thereof and use thereof in perfumery V.马内菲尔斯 2021-02-02 CN disclosed
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 disclosed
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 disclosed
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 disclosed
EP-3233820-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) 2017-10-25 EP disclosed
WO-2016097569-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) 2016-06-23 WO disclosed
EP-2060567-B1 Regiospecific furan compounds and their use in fragrances INT FLAVORS & FRAGRANCES INC (US) 2015-03-11 EP disclosed
US-8067644-B2 Process for conducting an organic reaction in ionic liquids THE PROCTER & GAMBLE COMPANY (US) 2011-11-29 US disclosed
US-20110152566-A1 Process for Conducting an Organic Reaction in Ionic Liquids THE PROCTER & GAMBLE COMPANY 2011-06-23 US disclosed
US-20090131300-A1 Regiospecific Furan Compounds and Their Use in Fragrances INTERNATIONAL FLAVORS & FRAGRANCES INC. 2009-05-21 US disclosed
EP-2060567-A1 Regiospecific furan compounds and their use in fragrances INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 2009-05-20 EP disclosed
EP-1053988-B1 TRIMETHYLCYCLOHEXANE DERIVATIVES AND MELANIN-FORMATION INHIBITORS AND PERFUME-HOLDING AGENTS WITH THE USE OF THE SAME TAKASAGO PERFUMERY CO LTD (JP) 2008-12-31 EP disclosed
US-7468447-B1 Darzen's condensation of 1-(2,2,6-Trimethyl-cyclohexyl)-pentan-3-one, saponifying, pyrolysis, reacting with cyanoacetic acid, ring closing reaction, saponification, cyclization, reduction, ring closure to produce 3a-ethyl-6,6,9a-trimethyldodecahydronaphtho[2,1-b]furan INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2008-12-23 US disclosed
US-6440400-B1 1-(2',2',6'-TRIMETHYLCYCLOHEXAN-1'-YL)OCTAN-1-EN-3-ONE OR -3-OL; SKIN PROTECTION FROM ULTRAVIOLET RADIATION AND SUBSEQUENT SUNBURN; FRAGRANCE FIXATIVE; STABLE; SAFE; EFFICIENT; ODORLESS TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-08-27 US disclosed
EP-1053988-A1 TRIMETHYLCYCLOHEXANE DERIVATIVES AND MELANIN-FORMATION INHIBITORS AND PERFUME-HOLDING AGENTS WITH THE USE OF THE SAME Takasago International Corporation (JP) 2000-11-22 EP 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 (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-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 UGT2B7 2210/4885CETP 2132/4885PTPN1 4273/4885
US-20110152566-A1 Process for Conducting an Organic Reaction in Ionic Liquids ACSL3, ACSL1, MCOLN1 UGT2B7 3861/4885CETP 3528/4885PTPN1 4786/4885
US-20090131300-A1 Regiospecific Furan Compounds and Their Use in Fragrances CYP1B1, FASN, FDPS UGT2B7 26/4885CETP 1976/4885PTPN1 4347/4885
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 UGT2B7 2303/4885CETP 2291/4885PTPN1 4194/4885

“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.