SCHEMBL1784694

SCHEMBL1784694

COC(C)(CC(C)C)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
MMP8 P22894 1/20 0.39
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 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
SCHEMBL18946171 0.82 MMP8 (0.39) MMP8ALDH1A1TSHR
SCHEMBL13534119 0.82 MMP8 (0.39) MMP8ALDH1A1TSHR
SCHEMBL1785527 0.81 GAA (0.38) GAATSHR
SCHEMBL1784455 0.78 GAA (0.43) GAAALDH1A1TDP1TSHR
SCHEMBL1784124 0.78 TSHR (0.35) GAATDP1TSHR
SCHEMBL1784980 0.77 GAA (0.42) GAAALDH1A1TDP1TSHR
SCHEMBL13688674 0.73
SCHEMBL23711659 0.71 GAA (0.45) GAAMMP8ALDH1A1
SCHEMBL12122738 0.70 ALDH1A1 (0.39) GAAMMP8ALDH1A1TDP1TSHR
SCHEMBL6138611 0.70 ALDH1A1 (0.39) GAAMMP8ALDH1A1TDP1TSHR

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 GAA 4800/4885MMP8 4217/4885ALDH1A1 520/4885

“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.