SCHEMBL21963687

SCHEMBL21963687

CC(=O)C1CCC(C)(C)CC1O

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.32
EPHX2 P34913 1/20 0.32
SLC6A12 P48065 1/20 0.31
SLC6A11 P48066 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
SCHEMBL21963690 1.00 APLNR (0.32) APLNREPHX2SLC6A12SLC6A11
SCHEMBL24119157 1.00 APLNR (0.32) APLNREPHX2SLC6A12SLC6A11
SCHEMBL27439074 1.00 APLNR (0.32) APLNREPHX2SLC6A12SLC6A11
SCHEMBL24119156 1.00 APLNR (0.32) APLNREPHX2SLC6A12SLC6A11
SCHEMBL18105745 0.79 PTPN1 (0.33)
SCHEMBL18105746 0.79 PTPN1 (0.33)
SCHEMBL12167079 0.79 PTPN1 (0.33)
SCHEMBL20755980 0.79 CHRM2 (0.34) EPHX2
SCHEMBL22236898 0.75 EPHX1 (0.33) APLNREPHX2
SCHEMBL23036766 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11946019-B2 Synthesis and use of 2-ethyl-5,5-dimethyl-cyclohexanol as fragrance and flavor material SYMRISE AG (DE) 2024-04-02 US claimed
US-20210395639-A1 SYNTHESIS AND USE OF 2-ETHYL-5,5-DIMETHYL-CYCLOHEXANOL AS FRAGRANCE AND FLAVOR MATERIAL SYMRISE AG (DE) 2021-12-23 US claimed
EP-3880163-A1 USE OF 1-ETHYL-4,4-DIMETHYL-CYCLOHEXANE DERIVATIVES AS FRAGRANCES Symrise AG (DE) 2021-09-22 EP claimed
EP-3681463-B1 SYNTHESIS AND USE OF 2-ETHYL-5,5-DIMETHYL-CYCLOHEXANOL AS FRAGRANCE AND FLAVOR MATERIAL SYMRISE AG (DE) 2021-03-03 EP claimed
EP-3681463-A1 SYNTHESIS AND USE OF 2-ETHYL-5,5-DIMETHYL-CYCLOHEXANOL AS FRAGRANCE AND FLAVOR MATERIAL Symrise AG (DE) 2020-07-22 EP claimed
WO-2020099372-A1 SYNTHESIS AND USE OF 2-ETHYL-5,5-DIMETHYL-CYCLOHEXANOL AS FRAGRANCE AND FLAVOR MATERIAL SYMRISE AG (DE) 2020-05-22 WO claimed
WO-2020098901-A1 USE OF 1-ETHYL-4,4-DIMETHYL-CYCLOHEXANE DERIVATIVES AS FRAGRANCES SYMRISE AG (DE) 2020-05-22 WO claimed
US-12031106-B2 Use of 1-ethyl-4,4-dimethyl-cyclohexane derivatives as fragrances SYMRISE AG (DE) 2024-07-09 US disclosed
US-12031106-B2 Use of 1-ethyl-4,4-dimethyl-cyclohexane derivatives as fragrances SYMRISE AG (DE) 2024-07-09 US disclosed
US-11946019-B2 Synthesis and use of 2-ethyl-5,5-dimethyl-cyclohexanol as fragrance and flavor material SYMRISE AG (DE) 2024-04-02 US disclosed
US-20210395639-A1 SYNTHESIS AND USE OF 2-ETHYL-5,5-DIMETHYL-CYCLOHEXANOL AS FRAGRANCE AND FLAVOR MATERIAL SYMRISE AG (DE) 2021-12-23 US disclosed
US-20210395639-A1 SYNTHESIS AND USE OF 2-ETHYL-5,5-DIMETHYL-CYCLOHEXANOL AS FRAGRANCE AND FLAVOR MATERIAL SYMRISE AG (DE) 2021-12-23 US disclosed
US-20210395640-A1 USE OF 1-ETHYL-4,4-DIMETHYL-CYCLOHEXANE DERIVATIVES AS FRAGRANCES SYMRISE AG (DE) 2021-12-23 US disclosed
EP-3681463-B1 SYNTHESIS AND USE OF 2-ETHYL-5,5-DIMETHYL-CYCLOHEXANOL AS FRAGRANCE AND FLAVOR MATERIAL SYMRISE AG (DE) 2021-03-03 EP disclosed
EP-3681463-B1 SYNTHESIS AND USE OF 2-ETHYL-5,5-DIMETHYL-CYCLOHEXANOL AS FRAGRANCE AND FLAVOR MATERIAL SYMRISE AG (DE) 2021-03-03 EP disclosed
EP-3681463-A1 SYNTHESIS AND USE OF 2-ETHYL-5,5-DIMETHYL-CYCLOHEXANOL AS FRAGRANCE AND FLAVOR MATERIAL Symrise AG (DE) 2020-07-22 EP disclosed
WO-2020098901-A1 USE OF 1-ETHYL-4,4-DIMETHYL-CYCLOHEXANE DERIVATIVES AS FRAGRANCES SYMRISE AG (DE) 2020-05-22 WO disclosed
WO-2020098901-A1 USE OF 1-ETHYL-4,4-DIMETHYL-CYCLOHEXANE DERIVATIVES AS FRAGRANCES SYMRISE AG (DE) 2020-05-22 WO disclosed
WO-2020099372-A1 SYNTHESIS AND USE OF 2-ETHYL-5,5-DIMETHYL-CYCLOHEXANOL AS FRAGRANCE AND FLAVOR MATERIAL SYMRISE AG (DE) 2020-05-22 WO disclosed
WO-2020098901-A1 USE OF 1-ETHYL-4,4-DIMETHYL-CYCLOHEXANE DERIVATIVES AS FRAGRANCES SYMRISE AG (DE) 2020-05-22 WO 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 (3 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-20210395639-A1 SYNTHESIS AND USE OF 2-ETHYL-5,5-DIMETHYL-CYCLOHEXANOL AS FRAGRANCE AND FLAVOR MATERIAL TRPM5, CNR2, DRD5 APLNR 4250/4885EPHX2 812/4885SLC6A12 420/4885
US-12031106-B2 Use of 1-ethyl-4,4-dimethyl-cyclohexane derivatives as fragrances ACMSD, ETV1, HTR1D APLNR 4436/4885EPHX2 114/4885SLC6A12 4551/4885
US-11946019-B2 Synthesis and use of 2-ethyl-5,5-dimethyl-cyclohexanol as fragrance and flavor material TRPM5, CNR2, DRD5 APLNR 4250/4885EPHX2 812/4885SLC6A12 420/4885

“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.