SCHEMBL1785030

SCHEMBL1785030

CCCCC(C)/C=C(\C)C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC15A1 P46059 1/20 0.35
FDPS P14324 1/20 0.34
CA2 P00918 4/20 0.34
CA1 P00915 4/20 0.34
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
PTPN1 P18031 1/20 0.34
CTSK P43235 3/20 0.33
TRPA1 O75762 1/20 0.33
DDAH1 O94760 1/20 0.33
GAPDH P04406 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
TP53 P04637 1/20 0.31
ALDH1A1 P00352 1/20 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
SCHEMBL1785032 1.00 TSHR (0.39) TSHRSMN1; SMN2SLC15A1FDPSCA2
SCHEMBL1782700 0.94 ADH1B (0.41) FDPSCA1ADH1BADH1CADH1A
SCHEMBL1782703 0.94 ADH1B (0.41) FDPSCA1ADH1BADH1CADH1A
SCHEMBL1189179 0.87 PTPN1 (0.36) TSHRFDPSPTPN1
SCHEMBL1189177 0.87 PTPN1 (0.36) TSHRFDPSPTPN1
SCHEMBL13604734 0.79 CA2 (0.35) TSHRSMN1; SMN2SLC15A1FDPSCA2
SCHEMBL1783610 0.79 PTPN1 (0.41) TSHRSMN1; SMN2SLC15A1FDPSCA2
SCHEMBL1783608 0.79 PTPN1 (0.41) TSHRSMN1; SMN2SLC15A1FDPSCA2
SCHEMBL14303352 0.78 ALDH1A1 (0.36) TSHRSMN1; SMN2SLC15A1FDPSCA2
SCHEMBL1781510 0.78

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 2144/4885SLC15A1 4833/4885

“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.