SCHEMBL1782445

SCHEMBL1782445

CCCC(C)CCC=CC=O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAPDH P04406 2/20 0.34
DDAH1 O94760 1/20 0.34
MAPT P10636 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
SCHEMBL1782443 1.00 TRPA1 (0.42) TRPA1TSHRALDH1A1GAPDHDDAH1
SCHEMBL1785508 0.88 TSHR (0.48) TRPA1TSHRALDH1A1GAPDHDDAH1
SCHEMBL1785506 0.88 TSHR (0.48) TRPA1TSHRALDH1A1GAPDHDDAH1
SCHEMBL1782876 0.88 TSHR (0.48) TRPA1TSHRALDH1A1GAPDHDDAH1
SCHEMBL1782877 0.88 TSHR (0.48) TRPA1TSHRALDH1A1GAPDHDDAH1
SCHEMBL1784879 0.84 TRPA1 (0.44) TRPA1TSHRALDH1A1GAPDHDDAH1
SCHEMBL1784881 0.84 TRPA1 (0.44) TRPA1TSHRALDH1A1GAPDHDDAH1
SCHEMBL1784399 0.80 TRPA1 (0.44) TRPA1TSHRALDH1A1GAPDHDDAH1
SCHEMBL1784397 0.80 TRPA1 (0.44) TRPA1TSHRALDH1A1GAPDHDDAH1
SCHEMBL1782401 0.80 TRPA1 (0.39) TRPA1TSHRALDH1A1

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 1/4885TSHR 2479/4885ALDH1A1 520/4885

“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.