SCHEMBL1699145

SCHEMBL1699145

CCCC(=O)C(C=O)C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.36
CES1 P23141 2/20 0.36
HDAC3 O15379 4/20 0.35
HDAC1 Q13547 4/20 0.35
HDAC2 Q92769 4/20 0.35
HDAC8 Q9BY41 4/20 0.35
FFAR3 O14843 3/20 0.35
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31
CTSD P07339 1/20 0.30

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
SCHEMBL20993075 0.78 CAMK2A (0.36)
SCHEMBL27944326 0.74
SCHEMBL1803732 0.74
SCHEMBL27900863 0.73
SCHEMBL982455 0.72 CES2 (0.50) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL29064899 0.72 FFAR3 (0.38) FFAR3ALDH1A1
SCHEMBL11716989 0.71
SCHEMBL7267287 0.71
SCHEMBL11727566 0.70 CES1 (0.43) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL11556450 0.70 CES1 (0.43) CES2CES1HDAC3HDAC1HDAC2

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
EP-3663366-B1 USE OF PHYSIOLOGICAL COOLING INGREDIENTS AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS SYMRISE AG (DE) 2025-01-08 EP disclosed
CN-111053775-B Physiologically cool active ingredient and use of substances containing such active ingredient 西姆莱斯股份公司 2023-08-18 CN 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
CN-111053775-A Physiologically cooling active ingredients and use of substances containing such active ingredients 西姆莱斯股份公司 2020-04-24 CN disclosed
US-10584134-B2 Use of physiological cooling active ingredients, and agents containing such active ingredients SYMRISE AG (DE) 2020-03-10 US disclosed
CN-102844386-B Physiologically cooling active ingredients and use of substances containing such active ingredients 西姆莱斯股份公司 2020-01-21 CN disclosed
US-20180093997-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS SYMRISE AG (DE) 2018-04-05 US disclosed
US-9718839-B2 Use of physiological cooling active ingredients, and agents containing such active ingredients SYMRISE AG (DE) 2017-08-01 US disclosed
US-20150086491-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS SYMRISE AG (DE) 2015-03-26 US disclosed
US-8927605-B2 Use of physiological cooling active ingredients, and agents containing such active ingredients SYMRISE AG (DE) 2015-01-06 US disclosed
US-20120263659-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS BASF SE (DE) 2012-10-18 US disclosed
EP-2501761-A2 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS Symrise AG (DE) 2012-09-26 EP disclosed
WO-2011061330-A9 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS SYMRISE AG (DE) 2012-01-05 WO disclosed
WO-2011061330-A2 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS SYMRISE AG (DE) 2011-05-26 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 (4 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-20150086491-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS TRPM8, TRPM7, TRPM2 CES2 2166/4885CES1 2412/4885HDAC3 2747/4885
US-10584134-B2 Use of physiological cooling active ingredients, and agents containing such active ingredients TRPM8, TRPM7, TRPM2 CES2 2166/4885CES1 2412/4885HDAC3 2747/4885
US-20180093997-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS TRPM8, TRPM7, TRPM2 CES2 2166/4885CES1 2412/4885HDAC3 2747/4885
US-20120263659-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS TRPM8, TRPM7, TRPM2 CES2 2166/4885CES1 2412/4885HDAC3 2747/4885

“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.