SCHEMBL9953603

SCHEMBL9953603

COC(=O)C(=CC(C)CCC1=C(C)CCCC1(C)C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.44
RARB P10826 2/20 0.40
RARG P13631 2/20 0.40
RXRA P19793 2/20 0.40
RARA P10276 1/20 0.40
HAO1 Q9UJM8 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ACE2 Q9BYF1 4/20 0.36
PDCD1 Q15116 3/20 0.36
CD274 Q9NZQ7 3/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
GRIK1 P39086 2/20 0.35
GRIK2 Q13002 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL10044179 1.00 TRPA1 (0.44) TRPA1RARBRARGRXRARARA
SCHEMBL16606707 1.00 TRPA1 (0.44) TRPA1RARBRARGRXRARARA
SCHEMBL1636049 0.94 TRPA1 (0.46) TRPA1RARBRARGRXRARARA
SCHEMBL2039596 0.91 RARB (0.45) TRPA1RARBRARGRXRARARA
SCHEMBL2033387 0.84 TRPA1 (0.43) TRPA1RARBRARGRXRARARA
SCHEMBL18084307 0.84 TRPA1 (0.41) TRPA1RARBRARGRXRARARA
SCHEMBL9202801 0.82 TRPA1 (0.42) TRPA1RARBRARGRXRARARA
SCHEMBL9202931 0.78 RARB (0.41) TRPA1RARBRARGRXRARARA
SCHEMBL13554953 0.77 ALDH1A1 (0.41) TRPA1RARBRARGRXRARARA
SCHEMBL9201572 0.76 CYP1A2 (0.49) TRPA1RARBRARGRXRARARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10081613-B2 2-(alkoxy or aryloxy carbonyl)-4-methyl-6-(2,6,6-trimethylcyclohex-1-enyl)hex-2-enoic acid compounds, its preparation and use Givaudan, S.A. (CH) 2018-09-25 US disclosed
EP-2655325-B1 2-(ALKOXY OR ARYLOXY CARBONYL)-4-METHYL-6-(2,6,6-TRIMETHYLCYCLOHEX-1-ENYL)HEX-2-ENOIC ACID COMPOUNDS, ITS PREPARATION AND USE GIVAUDAN SA (CH) 2018-04-18 EP disclosed
US-20170305875-A1 2-(ALKOXY OR ARYLOXY CARBONYL)-4-METHYL-6-(2,6,6-TRIMETHYLCYCLOHEX-1- ENYL)HEX-2-ENOIC ACID COMPOUNDS, ITS PREPARATION AND USE GIVAUDAN SA (CH) 2017-10-26 US disclosed
US-9732056-B2 2-(alkoxy or aryloxy carbonyl)-4-methyl-6-(2,6,6-trimethylcyclohex-1-enyl)hex-2-enoic acid compounds, its preparation and use Givaudan, S.A. (CH) 2017-08-15 US disclosed
US-20160002192-A1 2-(ALKOXY OR ARYLOXY CARBONYL)-4-METHYL-6-(2,6,6-TRIMETHYLCYCLOHEX-1- ENYL)HEX-2-ENOIC ACID COMPOUNDS, ITS PREPARATION AND USE GIVAUDAN SA (CH) 2016-01-07 US disclosed
US-9163000-B2 2-(alkoxy or aryloxy carbonyl)-4-methyl-6-(2,6.6-trimethylcyclohex-1- enyl)hex-2-enoic acid compounds, its preparation and use GIVAUDAN S.A. (CH) 2015-10-20 US disclosed
US-20150094476-A1 2-(ALKOXY OR ARYLOXY CARBONYL)-4-METHYL-6-(2,6,6-TRIMETHYLCYCLOHEX-1- ENYL)HEX-2-ENOIC ACID COMPOUNDS, ITS PREPARATION AND USE GIVAUDAN S.A. (CH) 2015-04-02 US disclosed
US-8933253-B2 2-(Alkoxy or aryloxy carbonyl)-4-methyl-6-(2,6,6-trimethylcyclohex-1-enyl)hex-2-enoic acid compunds, its preparation and use GIVAUDAN S.A. (CH) 2015-01-13 US disclosed
US-20140275578-A1 2-(ALKOXY OR ARYLOXY CARBONYL)-4-METHYL-6-(2,6,6-TRIMETHYLCYCLOHEX-1- ENYL)HEX-2-ENOIC ACID COMPOUNDS, ITS PREPARATION AND USE GIVAUDAN S.A. (CH) 2014-09-18 US disclosed
EP-2655325-A1 2-(ALKOXY OR ARYLOXY CARBONYL)-4-METHYL-6-(2,6,6-TRIMETHYLCYCLOHEX-1-ENYL)HEX-2-ENOIC ACID COMPOUNDS, ITS PREPARATION AND USE Givaudan SA (CH) 2013-10-30 EP disclosed
WO-2012085056-A1 2-(ALKOXY OR ARYLOXY CARBONYL)-4-METHYL-6-(2,6,6-TRIMETHYLCYCLOHEX-1-ENYL)HEX-2-ENOIC ACID COMPOUNDS, ITS PREPARATION AND USE GIVAUDAN SA (CH) 2012-06-28 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 (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-20170305875-A1 2-(ALKOXY OR ARYLOXY CARBONYL)-4-METHYL-6-(2,6,6-TRIMETHYLCYCLOHEX-1- ENYL)HEX-2-ENOIC ACID COMPOUNDS, ITS PREPARATION AND USE HRH2, HRH1, ENY2 TRPA1 261/4885RARB 432/4885RARG 574/4885
US-20160002192-A1 2-(ALKOXY OR ARYLOXY CARBONYL)-4-METHYL-6-(2,6,6-TRIMETHYLCYCLOHEX-1- ENYL)HEX-2-ENOIC ACID COMPOUNDS, ITS PREPARATION AND USE HRH2, HRH1, ENY2 TRPA1 261/4885RARB 432/4885RARG 574/4885
US-20150094476-A1 2-(ALKOXY OR ARYLOXY CARBONYL)-4-METHYL-6-(2,6,6-TRIMETHYLCYCLOHEX-1- ENYL)HEX-2-ENOIC ACID COMPOUNDS, ITS PREPARATION AND USE HRH2, HRH1, ENY2 TRPA1 261/4885RARB 432/4885RARG 574/4885
US-10081613-B2 2-(alkoxy or aryloxy carbonyl)-4-methyl-6-(2,6,6-trimethylcyclohex-1-enyl)hex-2-enoic acid compounds, its preparation and use HRH2, HRH1, ENY2 TRPA1 261/4885RARB 432/4885RARG 574/4885
US-20140275578-A1 2-(ALKOXY OR ARYLOXY CARBONYL)-4-METHYL-6-(2,6,6-TRIMETHYLCYCLOHEX-1- ENYL)HEX-2-ENOIC ACID COMPOUNDS, ITS PREPARATION AND USE HRH2, HRH1, ENY2 TRPA1 253/4885RARB 374/4885RARG 516/4885

“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.