SCHEMBL1787231

SCHEMBL1787231

CCCCC(C)C(O)/C=C/CC=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASAH2 Q9NR71 2/20 0.38
MAPT P10636 5/20 0.37
TRPA1 O75762 1/20 0.37
DDAH1 O94760 1/20 0.37
GAPDH P04406 1/20 0.37
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
CETP P11597 4/20 0.33
SPHK2 Q9NRA0 4/20 0.33
SPHK1 Q9NYA1 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPK1 P28482 3/20 0.33
CYP2D6 P10635 3/20 0.33
THRB P10828 3/20 0.33
GMNN O75496 2/20 0.33
LMNA P02545 2/20 0.33
GLA P06280 2/20 0.33

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
SCHEMBL1787232 1.00 ASAH2 (0.38) ASAH2MAPTTRPA1DDAH1GAPDH
SCHEMBL1782974 0.89 METAP1 (0.33) ASAH2MAPTTRPA1DDAH1GAPDH
SCHEMBL1782977 0.89 METAP1 (0.33) ASAH2MAPTTRPA1DDAH1GAPDH
SCHEMBL1783326 0.81 GAPDH (0.34) GAPDHTSHR
SCHEMBL1783327 0.81 GAPDH (0.34) GAPDHTSHR
SCHEMBL1782993 0.79 MAPT (0.53) MAPTTRPA1DDAH1GAPDHACHE
SCHEMBL1782994 0.79 MAPT (0.53) MAPTTRPA1DDAH1GAPDHACHE
SCHEMBL1780542 0.77 TSHR (0.39) MAPTTRPA1DDAH1GAPDHTSHR
SCHEMBL1780541 0.77 TSHR (0.39) MAPTTRPA1DDAH1GAPDHTSHR
SCHEMBL1783413 0.76 TSHR (0.32) TSHRSMN1; SMN2TRPV1

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 ASAH2 3846/4885MAPT 906/4885TRPA1 1/4885

“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.