SCHEMBL1782211

SCHEMBL1782211

CCCCCCC(C)(OC)C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
CES2 O00748 3/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GGPS1 O95749 4/20 0.39
SMPD1 P17405 1/20 0.39
ALDH1A1 P00352 1/20 0.39
FDPS P14324 6/20 0.38
EPHX1 P07099 1/20 0.38

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
SCHEMBL1782466 0.98 GAA (0.43) GAACES2MEN1MAPTKMT2A
SCHEMBL1781190 0.92 GAA (0.45) GAACES2MEN1MAPTKMT2A
SCHEMBL1785734 0.83 GAA (0.48) GAAALDH1A1FDPS
SCHEMBL12141711 0.81 ALDH1A1 (0.47) MEN1KMT2AALDH1A1
SCHEMBL2896817 0.79 ACLY (0.54) MAPTKMT2AATM
SCHEMBL12141698 0.79 ALDH1A1 (0.45) GAAMEN1MAPTKMT2AATM
SCHEMBL1784980 0.76 GAA (0.42) GAAMEN1KMT2AALDH1A1
SCHEMBL1930752 0.75 ALDH1A1 (0.37) KMT2AATML3MBTL1ALDH1A1
SCHEMBL13688695 0.74 CYP1A2 (0.47) GAAL3MBTL1ALDH1A1
SCHEMBL19422035 0.74 CES2 (0.47) CES2GGPS1FDPS

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 4800/4885CES2 1371/4885MEN1 251/4885

“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.