SCHEMBL1782029

SCHEMBL1782029

CCCCC(C)CC(C)=CC=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACE2 Q9BYF1 1/20 0.35
TRPA1 O75762 1/20 0.35
DDAH1 O94760 1/20 0.35
GAPDH P04406 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.33
SLC15A1 P46059 1/20 0.33
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
ADH7 P40394 1/20 0.32
FDPS P14324 1/20 0.32
CTSK P43235 3/20 0.32
CA2 P00918 2/20 0.31
MAPK1 P28482 1/20 0.31
CA1 P00915 2/20 0.31

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
SCHEMBL1782028 1.00 TSHR (0.36) TSHRSMN1; SMN2ACE2TRPA1DDAH1
SCHEMBL1786480 0.88 TSHR (0.39) TSHRALDH1A1
SCHEMBL1786477 0.88 TSHR (0.39) TSHRALDH1A1
SCHEMBL1785563 0.81 GPR84 (0.44) TSHRSMN1; SMN2TRPA1DDAH1GAPDH
SCHEMBL1785564 0.81 GPR84 (0.44) TSHRSMN1; SMN2TRPA1DDAH1GAPDH
SCHEMBL1784176 0.79 ALDH1A1 (0.39) GAPDHALDH1A1CA2CA1
SCHEMBL1784178 0.79 ALDH1A1 (0.39) GAPDHALDH1A1CA2CA1
SCHEMBL1782371 0.77 CTSK (0.33) TSHRSMN1; SMN2TRPA1DDAH1GAPDH
SCHEMBL1782369 0.77 CTSK (0.33) TSHRSMN1; SMN2TRPA1DDAH1GAPDH
SCHEMBL1786442 0.76 GPR84 (0.52) TRPA1DDAH1GAPDHMAPTTP53

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 TSHR 2479/4885SMN1; SMN2 2144/4885ACE2 4401/4885

“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.