SCHEMBL1786443

SCHEMBL1786443

CCCCCC(O)CC(C)=CC=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 8/20 0.52
TRPA1 O75762 1/20 0.46
DDAH1 O94760 1/20 0.46
GAPDH P04406 1/20 0.46
MAPT P10636 1/20 0.46
FFAR1 O14842 3/20 0.42
FFAR4 Q5NUL3 2/20 0.42
NFKB1 P19838 1/20 0.41
TRPV1 Q8NER1 1/20 0.38
PSMD14 O00487 2/20 0.38
PLA2G1B P04054 2/20 0.38
MMP2 P08253 2/20 0.38
ATG4B Q9Y4P1 2/20 0.38
HSP90AA1 P07900 1/20 0.38
RAD52 P43351 1/20 0.38
TP53 P04637 1/20 0.36

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
SCHEMBL1786442 1.00 GPR84 (0.52) GPR84TRPA1DDAH1GAPDHMAPT
SCHEMBL1785563 0.94 GPR84 (0.44) GPR84TRPA1DDAH1GAPDHMAPT
SCHEMBL1785564 0.94 GPR84 (0.44) GPR84TRPA1DDAH1GAPDHMAPT
SCHEMBL1786314 0.86 ALDH1A1 (0.36) GPR84TRPA1DDAH1GAPDHMAPT
SCHEMBL1786315 0.86 ALDH1A1 (0.36) GPR84TRPA1DDAH1GAPDHMAPT
SCHEMBL1786508 0.78 ALDH1A1 (0.39) GAPDH
SCHEMBL1786510 0.78 ALDH1A1 (0.39) GAPDH
SCHEMBL1783815 0.77 TRPA1 (0.39) GPR84TRPA1DDAH1GAPDHMAPT
SCHEMBL1783819 0.77 TRPA1 (0.39) GPR84TRPA1DDAH1GAPDHMAPT
SCHEMBL1786326 0.77 ALDH1A1 (0.35)

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 GPR84 77/4885TRPA1 1/4885DDAH1 1730/4885

“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.