SCHEMBL1636049

SCHEMBL1636049

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.46
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RARB P10826 2/20 0.40
RARG P13631 2/20 0.40
RXRA P19793 2/20 0.40
RARA P10276 1/20 0.40
ACE2 Q9BYF1 4/20 0.37
PDCD1 Q15116 3/20 0.37
CD274 Q9NZQ7 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.36
HAO1 Q9UJM8 1/20 0.36

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
SCHEMBL9953603 0.94 TRPA1 (0.44) TRPA1ALDH1A1GAAMAPTNPSR1
SCHEMBL16606707 0.94 TRPA1 (0.44) TRPA1ALDH1A1GAAMAPTNPSR1
SCHEMBL10044179 0.94 TRPA1 (0.44) TRPA1ALDH1A1GAAMAPTNPSR1
SCHEMBL2033387 0.89 TRPA1 (0.43) TRPA1ALDH1A1GAAMAPTNPSR1
SCHEMBL18084307 0.89 TRPA1 (0.41) TRPA1ALDH1A1GAAMAPTNPSR1
SCHEMBL2039596 0.86 RARB (0.45) TRPA1ALDH1A1GAAMAPTNPSR1
SCHEMBL9202801 0.85 TRPA1 (0.42) TRPA1ALDH1A1GAAMAPTNPSR1
SCHEMBL13554953 0.80 ALDH1A1 (0.41) TRPA1ALDH1A1GAAMAPTNPSR1
SCHEMBL9204877 0.78 TRPA1 (0.38) TRPA1ALDH1A1GAAMAPTNPSR1
SCHEMBL9205463 0.78 TRPA1 (0.40) TRPA1ALDH1A1GAAMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3268346-B1 PROCESSES FOR THE PREPARATION OF UNSATURATED MALONATES INT FLAVORS & FRAGRANCES INC (US) 2021-05-05 EP disclosed
US-10358415-B2 Processes for the preparation of unsaturated malonates INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2019-07-23 US disclosed
US-20180105490-A1 PROCESSES FOR THE PREPARATION OF UNSATURATED MALONATES INTERNATIONAL FLAVORS AND FRAGRANCES INC. 2018-04-19 US disclosed
US-20180105490-A1 PROCESSES FOR THE PREPARATION OF UNSATURATED MALONATES INTERNATIONAL FLAVORS AND FRAGRANCES INC. 2018-04-19 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-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-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
WO-2016145288-A1 PROCESSES FOR THE PREPARATION OF UNSATURATED MALONATES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2016-09-15 WO 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-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
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
US-8765980-B2 Organic compounds GIVAUDAN S.A. (CH) 2014-07-01 US disclosed
US-8765980-B2 Organic compounds GIVAUDAN S.A. (CH) 2014-07-01 US disclosed
US-20120271059-A1 Organic Compounds GIVAUDAN SA (CH) 2012-10-25 US 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
WO-2011073387-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2011-06-23 WO disclosed
US-7932418-B2 Process for the preparation of β-γ ene carbonyl derivatives FIRMENICH SA (CH) 2011-04-26 US 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 261/4885ALDH1A1 413/4885GAA 1492/4885
US-10358415-B2 Processes for the preparation of unsaturated malonates ME1, ACSL6, MAL2 TRPA1 4202/4885ALDH1A1 170/4885GAA 220/4885
US-20120271059-A1 Organic Compounds HSD17B12, HSD17B1, MAL2 TRPA1 2304/4885ALDH1A1 128/4885GAA 428/4885
US-20180105490-A1 PROCESSES FOR THE PREPARATION OF UNSATURATED MALONATES ME1, ACSL6, MAL2 TRPA1 4202/4885ALDH1A1 170/4885GAA 220/4885
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 253/4885ALDH1A1 346/4885GAA 1748/4885

“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.