SCHEMBL21963679

SCHEMBL21963679

CC(=O)OC(C)C1CCC(C)(C)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
EPHX2 P34913 1/20 0.34
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
BLM P54132 2/20 0.31
LMNA P02545 1/20 0.31
GALR3 O60755 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL24119083 1.00 TSHR (0.44) TSHREPHX2CHRM2CHRM4CHRM1
SCHEMBL22010892 1.00 TSHR (0.44) TSHREPHX2CHRM2CHRM4CHRM1
SCHEMBL6050318 0.83
SCHEMBL28924416 0.82 TSHR (0.35) TSHREPHX2
SCHEMBL756556 0.80 TSHR (0.38) TSHR
SCHEMBL25293694 0.79 LMNA (0.32) CHRM2CHRM4CHRM1BLMLMNA
SCHEMBL30175181 0.78 LMNA (0.31) BLMLMNA
SCHEMBL6559706 0.77 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL873507 0.77 TSHR (0.50) TSHRLMNASMN1; SMN2
SCHEMBL11170830 0.77 TSHR (0.50) TSHRLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12031106-B2 Use of 1-ethyl-4,4-dimethyl-cyclohexane derivatives as fragrances SYMRISE AG (DE) 2024-07-09 US claimed
US-20210395640-A1 USE OF 1-ETHYL-4,4-DIMETHYL-CYCLOHEXANE DERIVATIVES AS FRAGRANCES SYMRISE AG (DE) 2021-12-23 US 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-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-20210395640-A1 USE OF 1-ETHYL-4,4-DIMETHYL-CYCLOHEXANE DERIVATIVES AS FRAGRANCES 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
US-20210395640-A1 USE OF 1-ETHYL-4,4-DIMETHYL-CYCLOHEXANE DERIVATIVES AS FRAGRANCES SYMRISE AG (DE) 2021-12-23 US disclosed
EP-3880163-A1 USE OF 1-ETHYL-4,4-DIMETHYL-CYCLOHEXANE DERIVATIVES AS FRAGRANCES Symrise AG (DE) 2021-09-22 EP disclosed
EP-3880163-A1 USE OF 1-ETHYL-4,4-DIMETHYL-CYCLOHEXANE DERIVATIVES AS FRAGRANCES Symrise AG (DE) 2021-09-22 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-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 (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-12031106-B2 Use of 1-ethyl-4,4-dimethyl-cyclohexane derivatives as fragrances ACMSD, ETV1, HTR1D TSHR 4578/4885EPHX2 114/4885CHRM2 548/4885

“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.