SCHEMBL584857

SCHEMBL584857

CC1(C)C2CC=C(CCC(=O)O)C1C2

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KCNH2 Q12809 1/20 0.49
CXCR3 P49682 15/20 0.48
MAPK1 P28482 2/20 0.48
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL1552204 0.91 TSHR (0.48) TSHRKDM4EHTTTDP1KCNH2
SCHEMBL9845018 0.91 TSHR (0.48) TSHRKDM4EHTTTDP1KCNH2
SCHEMBL9516253 0.91 TSHR (0.48) TSHRKDM4EHTTTDP1KCNH2
Acetic Acid SCHEMBL30496778 0.88 TSHR (0.46) TSHRKDM4EHTTTDP1KCNH2
SCHEMBL17035690 0.88 TSHR (0.50) TSHRKDM4EHTTTDP1KCNH2
SCHEMBL17035688 0.88 TSHR (0.50) TSHRKDM4EHTTTDP1KCNH2
SCHEMBL4097947 0.84 KCNH2 (0.50) TSHRKDM4EHTTTDP1KCNH2
SCHEMBL3700192 0.81 KCNH2 (0.60) TSHRKDM4EHTTTDP1KCNH2
SCHEMBL31033436 0.81 KCNH2 (0.50) TSHRKDM4EHTTTDP1KCNH2
SCHEMBL3700194 0.81 KCNH2 (0.60) TSHRKDM4EHTTTDP1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2878303-B1 Compound for aromatherapy, aromatherapy medicine and aromatology HEFTI DORIS (CH) 2017-11-15 EP claimed
EP-2849718-B1 MIXTURES HAVING IMPROVED COOLING EFFECT SYMRISE AG (DE) 2017-02-01 EP claimed
US-20150150922-A1 COMPOSITION FOR USE IN AROMATHERAPY, AROMA MEDICINE AND AROMATOLOGY HEFTI DORIS (CH) 2015-06-04 US claimed
EP-2878303-A1 Compound for aromatherapy, aromatherapy medicine and aromatology Hefti, Doris (CH) 2015-06-03 EP claimed
EP-2849718-A2 MIXTURES HAVING IMPROVED COOLING EFFECT Symrise AG (DE) 2015-03-25 EP claimed
WO-2013171018-A2 MIXTURES HAVING IMPROVED COOLING EFFECT SYMRISE AG (DE) 2013-11-21 WO claimed
EP-1716159-B1 BICYCLIC SILOXANE COMPOSITIONS FOR THE RELEASE OF ACTIVE INGREDIENTS MOMENTIVE PERFORMANCE MAT INC (US) 2011-07-13 EP claimed
EP-1697386-B1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES GEN ELECTRIC (US) 2007-10-10 EP claimed
EP-0018679-B1 SURFACTANT CAKE COMPOSITIONS CONTAINING SOLUBILITY REDUCING AGENTS THE PROCTER & GAMBLE COMPANY (US) 1983-03-16 EP claimed
EP-3663366-B1 USE OF PHYSIOLOGICAL COOLING INGREDIENTS AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS SYMRISE AG (DE) 2025-01-08 EP disclosed
EP-2145042-B2 TEXTILE SCENTING HENKEL AG & CO KGAA (DE) 2021-10-06 EP disclosed
EP-2758041-B1 LOW-MOLECULAR MODULATORS OF THE COLD-MENTHOL RECEPTOR TRPM8 AND USE OF SAME BASF SE (DE) 2021-01-13 EP disclosed
EP-2501761-B1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS SYMRISE AG (DE) 2020-06-17 EP disclosed
EP-3663366-A2 USE OF PHYSIOLOGICAL COOLING INGREDIENTS AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS Symrise AG (DE) 2020-06-10 EP disclosed
EP-1341512-A1 RHINOLOGICAL AGENTS HAARMANN & REIMER GMBH (DE) 2003-09-10 EP disclosed
EP-1248532-A1 AROMAS AND AROMA COMPOSITIONS CONTAINING 4,8-DIMETHYL-3,7-NONADIEN-2-ONE Symrise GmbH & Co. KG (DE) 2002-10-16 EP disclosed
WO-2002051263-A1 SELECTION METHOD FOR AROMATIC SUBSTANCES HAARMANN & REIMER GMBH (DE) 2002-07-04 WO disclosed
WO-2002041861-A1 RHINOLOGICAL AGENTS HAARMANN & REIMER GMBH (DE) 2002-05-30 WO disclosed
WO-2001043567-A1 AROMAS AND AROMA COMPOSITIONS CONTAINING 4,8-DIMETHYL-3,7-NONADIEN-2-ONE, AND A METHOD FOR THE PRODUCTION THEREOF HAARMANN & REIMER GMBH (DE) 2001-06-21 WO disclosed
EP-1050574-A2 Mint and/or fruit flavour compositions HAARMANN & REIMER GMBH (DE) 2000-11-08 EP disclosed