SCHEMBL1783101

SCHEMBL1783101

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.48
TRPA1 O75762 1/20 0.44
DDAH1 O94760 1/20 0.44
GAPDH P04406 1/20 0.44
MAPT P10636 1/20 0.44
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH4 P08319 1/20 0.41
ADH7 P40394 1/20 0.41
FDPS P14324 4/20 0.41
ACE2 Q9BYF1 1/20 0.40
TP53 P04637 1/20 0.38
OPRM1 P35372 1/20 0.37
FFAR1 O14842 2/20 0.36
FFAR4 Q5NUL3 1/20 0.36
GPR84 Q9NQS5 3/20 0.35
SPHK1 Q9NYA1 1/20 0.35
NFKB1 P19838 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL1783100 1.00 CA1 (0.48) CA1TRPA1DDAH1GAPDHMAPT
SCHEMBL1787529 0.94 CA1 (0.41) CA1TRPA1DDAH1GAPDHMAPT
SCHEMBL1787528 0.94 CA1 (0.41) CA1TRPA1DDAH1GAPDHMAPT
SCHEMBL1784814 0.85 FDPS (0.34) CA1TRPA1DDAH1GAPDHMAPT
SCHEMBL1784816 0.85 FDPS (0.34) CA1TRPA1DDAH1GAPDHMAPT
SCHEMBL12988178 0.77 CA1 (0.48) CA1MAPTADH1BADH1CADH1A
SCHEMBL11973075 0.77 CA1 (0.48) CA1MAPTADH1BADH1CADH1A
SCHEMBL12988181 0.77 CA1 (0.48) CA1MAPTADH1BADH1CADH1A
SCHEMBL11973072 0.77 CA1 (0.48) CA1MAPTADH1BADH1CADH1A
SCHEMBL1784116 0.76

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 CA1 3505/4885TRPA1 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.