SCHEMBL113630

SCHEMBL113630

CC(=O)OC1CCC2CCCCC2C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
CYP2D6 P10635 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CHRM2 P08172 7/20 0.36
CHRM1 P11229 5/20 0.36
CHRM4 P08173 4/20 0.36
CHRM3 P20309 4/20 0.36
CHRM5 P08912 2/20 0.36
DPP4 P27487 2/20 0.35
DPP8 Q6V1X1 2/20 0.35
DPP9 Q86TI2 2/20 0.35
APOBEC3A P31941 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 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
SCHEMBL872971 1.00 MEN1 (0.37) MEN1CYP2D6KMT2AALDH1A1CHRM2
SCHEMBL27865953 0.96 MEN1 (0.41) MEN1CYP2D6KMT2AALDH1A1CHRM2
SCHEMBL11122133 0.85 CHRM2 (0.43) MEN1CYP2D6KMT2AALDH1A1CHRM2
SCHEMBL24879344 0.84 MEN1 (0.41) MEN1CYP2D6KMT2AALDH1A1CHRM2
SCHEMBL12172321 0.84 CHRM2 (0.36) MEN1CYP2D6KMT2AALDH1A1CHRM2
Hydrochloric Acid SCHEMBL28769363 0.83 MEN1 (0.42) MEN1CYP2D6KMT2AALDH1A1CHRM2
SCHEMBL25500893 0.83 CHRM2 (0.42) MEN1CYP2D6KMT2AALDH1A1CHRM2
SCHEMBL6060648 0.82 CHRM2 (0.35) MEN1CYP2D6KMT2AALDH1A1CHRM2
SCHEMBL26330098 0.82 CYP19A1 (0.39) MEN1CYP2D6KMT2AALDH1A1CHRM2
SCHEMBL2779120 0.82 ALDH1A1 (0.33) ALDH1A1

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 1055 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12441953-B2 Isomer mixtures of unsaturated macrocyclic musk compounds SYMRISE AG (DE) 2025-10-14 US claimed
CN-111051483-B Esters and ethers of 2, 4-tetramethyl cyclobutane-1, 3-diol as fragrance chemicals 巴斯夫欧洲公司 2025-01-24 CN claimed
US-12187978-B2 Use of (3-acetoxy-2,2-dimethyl-propyl) acetate in combination with (3-hydroxy-2,2-dimethyl-propyl) acetate as an aroma chemical BASF SE (DE) 2025-01-07 US claimed
EP-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP claimed
CN-109152711-B Method for producing perfume capsules with improved surfactant stability 西姆莱斯股份公司 2021-10-22 CN claimed
CN-113056547-A Jasmine alcohol 西姆莱斯有限公司 2021-06-29 CN claimed
US-10920170-B2 Fragrance mixtures containing tricyclo[5.2.1.0]-decane-8-ethyl ether SYMRISE AG (DE) 2021-02-16 US claimed
US-10876081-B2 Method for the production of scent capsules with improved surfactant stability SYMRISE AG (DE) 2020-12-29 US claimed
EP-3423028-B1 METHOD FOR THE PRODUCTION OF ENCAPSULATED FRAGRANCE WITH IMPROVED STABILITY AGAINST DETERGENTS SYMRISE AG (DE) 2020-04-08 EP claimed
US-20200063063-A1 FRAGRANCE MIXTURES CONTAINING TRICYCLO[5.2.1.0]-DECANE-8-ETHYL ETHER SYMRISE AG (DE) 2020-02-27 US claimed
US-8999913-B2 Fragrance mixtures containing cyclopent-2-enyl ethyl acetate SYMRISE AG (DE) 2015-04-07 US claimed
EP-1894603-B1 Encapsulation of bulky fragrance molecules TAKASAGO PERFUMERY CO LTD (JP) 2014-11-19 EP claimed
US-8609600-B2 Encapsulation of bulky fragrance molecules TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-12-17 US claimed
US-20130303432-A1 Use Of Specific Compounds For Modifying Odors SYMRISE AG (DE) 2013-11-14 US claimed
US-20130172429-A1 FRAGRANCE MIXTURES CONTAINING CYCLOPENT-2-ENYL ETHYL ACETATE SYMRISE AG (DE) 2013-07-04 US claimed
CN-103160375-A Perfume mixtures containing cyclopent-2-enyl-ethyl acetate SYMRISE AG 2013-06-19 CN claimed
US-20110104089-A1 COMPOSITIONS COMPRISING FRAGRANCE SUBSTANCES AND NEOPENTYL GLYCOL DIISONONANOATE SYMRISE AG (DE) 2011-05-05 US claimed
EP-2211829-B1 IMPROVEMENT OF THE FRAGRANCE EFFECT OF PERFUME ESTERS HENKEL AG & CO KGAA (DE) 2011-04-27 EP claimed
US-20110091404-A1 COMPOSITIONS COMPRISING FRAGRANCE SUBSTANCES AND COMPRISING CETYL NONANOATE AND/OR STEARYL NONANOATE SYMRISE AG (DE) 2011-04-21 US claimed
US-20100210496-A1 Fragrance Effect of Perfume Esters BESSLER CORNELIUS 2010-08-19 US 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 (5 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-10920170-B2 Fragrance mixtures containing tricyclo[5.2.1.0]-decane-8-ethyl ether CCT8, F8, TRPM8 MEN1 3160/4885CYP2D6 944/4885KMT2A 1841/4885
US-20200063063-A1 FRAGRANCE MIXTURES CONTAINING TRICYCLO[5.2.1.0]-DECANE-8-ETHYL ETHER CCT8, F8, TRPM8 MEN1 3160/4885CYP2D6 944/4885KMT2A 1841/4885
US-10876081-B2 Method for the production of scent capsules with improved surfactant stability SMOX, LIPA, SGMS2 MEN1 1928/4885CYP2D6 1005/4885KMT2A 1413/4885
US-20110091404-A1 COMPOSITIONS COMPRISING FRAGRANCE SUBSTANCES AND COMPRISING CETYL NONANOATE AND/OR STEARYL NONANOATE CUTA, FHIT, FAM83A MEN1 3946/4885CYP2D6 3351/4885KMT2A 3339/4885
US-20110104089-A1 COMPOSITIONS COMPRISING FRAGRANCE SUBSTANCES AND NEOPENTYL GLYCOL DIISONONANOATE CUTA, KIT, DEGS1 MEN1 2461/4885CYP2D6 2380/4885KMT2A 2150/4885

“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.