SCHEMBL1784455

SCHEMBL1784455

COC(C)(CCC(C)C)C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.32
CA1 P00915 2/20 0.32
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 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
SCHEMBL1784980 0.90 GAA (0.42) GAATSHRCA1ALDH1A1TDP1
SCHEMBL7696692 0.83 MAPK1 (0.33) GAACA1L3MBTL1MAPK1
SCHEMBL1782815 0.82 GAA (0.39) GAACA1ALDH1A1TDP1LMNA
SCHEMBL1784694 0.78 GAA (0.41) GAATSHRALDH1A1TDP1
SCHEMBL1785734 0.76 GAA (0.48) GAATSHRALDH1A1TDP1LMNA
SCHEMBL1698105 0.73 CA1 (0.37) GAACA1ALDH1A1TDP1L3MBTL1
SCHEMBL15080398 0.73 CA1 (0.37) GAACA1ALDH1A1TDP1L3MBTL1
SCHEMBL1781190 0.72 GAA (0.45) GAATSHRCA1ALDH1A1L3MBTL1
SCHEMBL1785650 0.71 L3MBTL1 (0.37) GAATSHRCA1ALDH1A1TDP1
SCHEMBL1782466 0.71 GAA (0.43) GAAALDH1A1L3MBTL1

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 4800/4885TSHR 2479/4885CA1 3505/4885

“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.