SCHEMBL1783016

SCHEMBL1783016

CC(=O)C(C)CC=CCC(C)C

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KISS1R Q969F8 1/20 0.34
GRIK1 P39086 1/20 0.31

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
SCHEMBL1783014 1.00 ALDH1A1 (0.36) ALDH1A1TDP1KISS1RGRIK1
SCHEMBL17720228 0.83 GRIK1 (0.41) ALDH1A1TDP1GRIK1
SCHEMBL18136594 0.83 GRIK1 (0.41) ALDH1A1TDP1GRIK1
SCHEMBL11128953 0.80 GABRR1 (0.41) GRIK1
SCHEMBL11128951 0.80 GABRR1 (0.41) GRIK1
SCHEMBL4243839 0.80
SCHEMBL4243836 0.80
SCHEMBL1783646 0.79 TAS1R3 (0.36) ALDH1A1
SCHEMBL1783648 0.79 TAS1R3 (0.36) ALDH1A1
SCHEMBL28560862 0.78 GRIK1 (0.38) GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8632792-B2 Cooling sensation agent composition and sensory stimulation agent composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-01-21 US disclosed
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-05-19 US disclosed
WO-2009123355-A2 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-08 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 (1 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-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TRPA1, HRH1, HRH2 ALDH1A1 520/4885TDP1 3995/4885KISS1R 1523/4885

“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.