SCHEMBL1784525

SCHEMBL1784525

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.36
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA2 P00918 5/20 0.33
ACE2 Q9BYF1 1/20 0.33
MAPK1 P28482 1/20 0.33
FDPS P14324 1/20 0.33
CA1 P00915 3/20 0.32
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC15A1 P46059 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.31
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
ADH7 P40394 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
SCHEMBL1785525 0.89 TSHR (0.37) TSHR
SCHEMBL1782454 0.81
SCHEMBL28895707 0.78 CA2 (0.37) TSHRCA2ACE2MAPK1FDPS
SCHEMBL1780624 0.78 MEN1 (0.37) CTSKMEN1CYP3A4ALOX15KMT2A
SCHEMBL1784499 0.74 FDPS (0.31) FDPS
SCHEMBL1786687 0.74 TSHR (0.40) TSHRFDPS
SCHEMBL26103400 0.74 MEN1 (0.38) TSHRCA2ACE2MAPK1FDPS
SCHEMBL11605947 0.74 ACE2 (0.43) CA2ACE2FDPSCA1MEN1
SCHEMBL1785617 0.74 TSHR (0.41) CTSKTSHRSMN1; SMN2CA2MAPK1
SCHEMBL1781347 0.74 TSHR (0.37) TSHRMEN1CYP3A4ALOX15KMT2A

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 CTSK 4787/4885TSHR 2479/4885SMN1; SMN2 2144/4885

“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.