SCHEMBL1785663

SCHEMBL1785663

CCC(C)CCC(C)C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.42
GABRR1 P24046 2/20 0.36
CYP1A2 P05177 1/20 0.36
BLM P54132 1/20 0.35
CA1 P00915 2/20 0.32
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL1784620 0.86 BLM (0.47) ACE2BLMCA1
SCHEMBL13410354 0.84 GABRR1 (0.46) ACE2GABRR1CYP1A2BLMCA1
SCHEMBL1783097 0.83 ACE2 (0.50) ACE2GABRR1CYP1A2BLMCA1
SCHEMBL15062403 0.82 ACE2 (0.59) ACE2GABRR1CYP1A2BLMTDP1
SCHEMBL14701889 0.82 ACE2 (0.59) ACE2GABRR1CYP1A2BLMTDP1
SCHEMBL20490015 0.80 ACE2 (0.42) ACE2GABRR1CYP1A2BLMCA1
SCHEMBL3336438 0.79 ACE2 (0.35) ACE2BLMTSHR
SCHEMBL17691122 0.79 ACE2 (0.39) ACE2BLM
SCHEMBL25003459 0.78 GABRR1 (0.44) ACE2GABRR1CYP1A2BLM
SCHEMBL11220130 0.78 ACE2 (0.36) ACE2GABRR1CYP1A2BLM

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 ACE2 4401/4885GABRR1 1377/4885CYP1A2 856/4885

“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.