SCHEMBL12166557

SCHEMBL12166557

CCC(C)C1CCC(O)C(C)C1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.38
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
ACHE P22303 1/20 0.33
TRPA1 O75762 2/20 0.31
TRPM8 Q7Z2W7 2/20 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
SCHEMBL26326113 0.85 SHBG (0.41) SHBGTRPA1TRPM8
SCHEMBL14984133 0.84 SHBG (0.38) SHBGCA1CA2CA4ACHE
SCHEMBL12166898 0.80 SHBG (0.38) SHBGTRPA1TRPM8
SCHEMBL10299083 0.79 TRPA1 (0.40) CA1CA2CA4TRPA1TRPM8
SCHEMBL22861474 0.78 SHBG (0.36) SHBG
SCHEMBL12166612 0.78 SHBG (0.36) SHBGCA1CA2CA4
SCHEMBL28154637 0.78 SHBG (0.39) SHBG
SCHEMBL17198162 0.77 SHBG (0.52) SHBG
SCHEMBL12424437 0.77 SHBG (0.52) SHBG
SCHEMBL4843035 0.77 SHBG (0.52) SHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593078-B1 CYCLOHEXYL CARBAMATE COMPOUNDS AS ACTIVE ANTI-CELLULITE INGREDIENTS SYMRISE AG (DE) 2016-11-30 EP disclosed
US-9072676-B2 Cyclohexyl carbamate compounds as skin and/or hair lightening actives SYMRISE AG (DE) 2015-07-07 US disclosed
US-9072676-B2 Cyclohexyl carbamate compounds as skin and/or hair lightening actives SYMRISE AG (DE) 2015-07-07 US disclosed
US-9012497-B2 Cyclohexyl carbamate compounds as active anti-cellulite ingredients SYMRISE AG (DE) 2015-04-21 US disclosed
US-9012497-B2 Cyclohexyl carbamate compounds as active anti-cellulite ingredients SYMRISE AG (DE) 2015-04-21 US disclosed
US-20130156710-A1 CYCLOHEXYL CARBAMATE COMPOUNDS AS SKIN AND/OR HAIR LIGHTENING ACTIVES SYMRISE AG (DE) 2013-06-20 US disclosed
US-20130156710-A1 CYCLOHEXYL CARBAMATE COMPOUNDS AS SKIN AND/OR HAIR LIGHTENING ACTIVES SYMRISE AG (DE) 2013-06-20 US disclosed
US-20130137710-A1 CYCLOHEXYL CARBAMATE COMPOUNDS AS ACTIVE ANTI-CELLULITE INGREDIENTS SYMRISE AG (DE) 2013-05-30 US disclosed
US-20130137710-A1 CYCLOHEXYL CARBAMATE COMPOUNDS AS ACTIVE ANTI-CELLULITE INGREDIENTS SYMRISE AG (DE) 2013-05-30 US disclosed
EP-2389922-A1 Cyclohexyl carbamate compounds as anti-ageing actives Symrise AG (DE) 2011-11-30 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 (2 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-20130156710-A1 CYCLOHEXYL CARBAMATE COMPOUNDS AS SKIN AND/OR HAIR LIGHTENING ACTIVES CBR1, CYP2A13, CBR3 SHBG 186/4885CA1 2601/4885CA2 929/4885
US-20130137710-A1 CYCLOHEXYL CARBAMATE COMPOUNDS AS ACTIVE ANTI-CELLULITE INGREDIENTS CBR1, NCOR2, CECR2 SHBG 231/4885CA1 2365/4885CA2 250/4885

“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.