SCHEMBL12166555

SCHEMBL12166555

CCC1CC(C)CCC1O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.40
TRPM8 Q7Z2W7 2/20 0.40
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37

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
SCHEMBL805178 0.83 TRPA1 (0.41) TRPA1TRPM8CA1CA2CA4
SCHEMBL12166561 0.82 CA1 (0.54) TRPA1TRPM8CA1CA2CA4
SCHEMBL3479924 0.81 TRPA1 (0.40) TRPA1TRPM8CA1CA2CA4
SCHEMBL13916212 0.81 TRPA1 (0.40) TRPA1TRPM8CA1CA2CA4
SCHEMBL12159671 0.81 TRPA1 (0.45) TRPA1TRPM8CA1CA2CA4
SCHEMBL3249131 0.81 TRPA1 (0.45) TRPA1TRPM8CA1CA2CA4
SCHEMBL31516173 0.81 TRPA1 (0.45) TRPA1TRPM8CA1CA2CA4
SCHEMBL18644147 0.81 TRPA1 (0.45) TRPA1TRPM8CA1CA2CA4
SCHEMBL24920330 0.80
SCHEMBL13924883 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107428990-A Plasticizer composition comprising polymerization dicarboxylic ester and dimethyl terephthalate ester 巴斯夫欧洲公司 2017-12-01 CN disclosed
CN-104822648-B Preparation has the method for the cyclohexane-carboxylic acid derivatives of low ratio by-product 巴斯夫欧洲公司 2016-11-09 CN disclosed
WO-2016100281-A1 INDOLE AND AZAINDOLES DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2016-06-23 WO disclosed
US-20160168090-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2016-06-16 US 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
CN-100446747-C Cosmetic compositions comprising cyclohexanepolycarboxylic acid derivatives BASF AG (DE) 2008-12-31 CN disclosed
CN-1784203-A Cosmetic composition containing cyclohexane polycarboxylic acid derivative BASF AG (DE) 2006-06-07 CN 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-20160168090-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX3, P2RX7, P2RX2 TRPA1 71/4885TRPM8 133/4885CA1 2719/4885
US-20130156710-A1 CYCLOHEXYL CARBAMATE COMPOUNDS AS SKIN AND/OR HAIR LIGHTENING ACTIVES CBR1, CYP2A13, CBR3 TRPA1 304/4885TRPM8 1735/4885CA1 2601/4885
US-20130137710-A1 CYCLOHEXYL CARBAMATE COMPOUNDS AS ACTIVE ANTI-CELLULITE INGREDIENTS CBR1, NCOR2, CECR2 TRPA1 462/4885TRPM8 2152/4885CA1 2365/4885

“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.