SCHEMBL1780834

SCHEMBL1780834

CCCCCC(C)C=CC=O

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAPDH P04406 2/20 0.62
TRPA1 O75762 2/20 0.62
DDAH1 O94760 1/20 0.62
MAPT P10636 1/20 0.62
ADH1B P00325 1/20 0.44
ADH1C P00326 1/20 0.44
ADH1A P07327 1/20 0.44
ADH4 P08319 1/20 0.44
ADH7 P40394 1/20 0.44
TSHR P16473 3/20 0.42
ALDH1A1 P00352 1/20 0.42
OPRM1 P35372 1/20 0.39
CA1 P00915 2/20 0.38
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
LTB4R Q15722 1/20 0.35
FDPS P14324 1/20 0.34
SMPD1 P17405 3/20 0.34
ACE2 Q9BYF1 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
SCHEMBL1780833 1.00 GAPDH (0.62) GAPDHTRPA1DDAH1MAPTADH1B
SCHEMBL2418003 0.98 GAPDH (0.60) GAPDHTRPA1DDAH1MAPTADH1B
SCHEMBL1785194 0.98 GAPDH (0.60) GAPDHTRPA1DDAH1MAPTADH1B
SCHEMBL1785191 0.98 GAPDH (0.60) GAPDHTRPA1DDAH1MAPTADH1B
SCHEMBL2418006 0.98 GAPDH (0.60) GAPDHTRPA1DDAH1MAPTADH1B
SCHEMBL1785820 0.93 TRPA1 (0.53) GAPDHTRPA1DDAH1MAPTADH1B
SCHEMBL16234314 0.93 TRPA1 (0.53) GAPDHTRPA1DDAH1MAPTADH1B
SCHEMBL1785819 0.93 TRPA1 (0.53) GAPDHTRPA1DDAH1MAPTADH1B
SCHEMBL1785724 0.84
SCHEMBL1785727 0.84

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 GAPDH 3057/4885TRPA1 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.