SCHEMBL1784013

SCHEMBL1784013

CCCCC(C)CC=CC=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.41
GAPDH P04406 2/20 0.41
DDAH1 O94760 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 4/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
ACE2 Q9BYF1 1/20 0.33
SLC15A1 P46059 1/20 0.32
LTB4R Q15722 1/20 0.31
ACHE P22303 1/20 0.31
BACE1 P56817 1/20 0.31
FAAH O00519 2/20 0.30
TRPV1 Q8NER1 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL1784011 1.00 TRPA1 (0.41) TRPA1GAPDHDDAH1MAPTTSHR
SCHEMBL1784993 0.94 TRPA1 (0.48) TRPA1GAPDHDDAH1MAPTTSHR
SCHEMBL1784995 0.94 TRPA1 (0.48) TRPA1GAPDHDDAH1MAPTTSHR
SCHEMBL1784399 0.87 TRPA1 (0.44) TRPA1GAPDHDDAH1MAPTTSHR
SCHEMBL1784397 0.87 TRPA1 (0.44) TRPA1GAPDHDDAH1MAPTTSHR
SCHEMBL1782877 0.82 TSHR (0.48) TRPA1GAPDHDDAH1MAPTTSHR
SCHEMBL1782876 0.82 TSHR (0.48) TRPA1GAPDHDDAH1MAPTTSHR
SCHEMBL624027 0.79 ALDH1A1 (0.36) TSHRALDH1A1LTB4RACHEBACE1
SCHEMBL1701177 0.79 ALDH1A1 (0.55) TRPA1GAPDHDDAH1MAPTTSHR
SCHEMBL1701670 0.79 ALDH1A1 (0.55) TRPA1GAPDHDDAH1MAPTTSHR

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 TRPA1 1/4885GAPDH 3057/4885DDAH1 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.