SCHEMBL1785563

SCHEMBL1785563

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 5/20 0.44
TRPA1 O75762 1/20 0.39
DDAH1 O94760 1/20 0.39
GAPDH P04406 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
FFAR1 O14842 1/20 0.35
ALDH1A1 P00352 1/20 0.34
NFKB1 P19838 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
FDPS P14324 1/20 0.32

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
SCHEMBL1785564 1.00 GPR84 (0.44) GPR84TRPA1DDAH1GAPDHMAPT
SCHEMBL1786442 0.94 GPR84 (0.52) GPR84TRPA1DDAH1GAPDHMAPT
SCHEMBL1786443 0.94 GPR84 (0.52) GPR84TRPA1DDAH1GAPDHMAPT
SCHEMBL1786314 0.88 ALDH1A1 (0.36) GPR84TRPA1DDAH1GAPDHMAPT
SCHEMBL1786315 0.88 ALDH1A1 (0.36) GPR84TRPA1DDAH1GAPDHMAPT
SCHEMBL1782029 0.81 TSHR (0.36) TRPA1DDAH1GAPDHMAPTTSHR
SCHEMBL1782028 0.81 TSHR (0.36) TRPA1DDAH1GAPDHMAPTTSHR
SCHEMBL1786510 0.79 ALDH1A1 (0.39) GAPDHALDH1A1
SCHEMBL1786508 0.79 ALDH1A1 (0.39) GAPDHALDH1A1
SCHEMBL1786326 0.78 ALDH1A1 (0.35) ALDH1A1

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.