SCHEMBL1783362

SCHEMBL1783362

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
TDP1 Q9NUW8 3/20 0.53
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
HTT P42858 1/20 0.38
FFAR3 O14843 1/20 0.37
KDM4E B2RXH2 2/20 0.36
KDM6B O15054 1/20 0.36
KDM5C P41229 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
PHF8 Q9UPP1 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
NFKB1 P19838 1/20 0.35
TRPA1 O75762 1/20 0.35
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 2/20 0.30
SLC15A2 Q16348 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
SCHEMBL1783361 1.00 ALDH1A1 (0.53) ALDH1A1TDP1MGAMGAASI
SCHEMBL12424013 0.87 MGAM (0.50) ALDH1A1TDP1MGAMGAASI
SCHEMBL28811398 0.79 FFAR3 (0.50) ALDH1A1TDP1HTTFFAR3KDM4E
Butanone SCHEMBL5471831 0.76 ALDH1A1 (0.77) ALDH1A1TDP1MGAMGAASI
Butanone SCHEMBL30306594 0.75
Butanone SCHEMBL4122479 0.75
SCHEMBL30209238 0.75 MGAM (0.53) ALDH1A1TDP1MGAMGAASI
SCHEMBL29379487 0.75
SCHEMBL7614582 0.75
SCHEMBL1287804 0.75

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 ALDH1A1 520/4885TDP1 3995/4885MGAM 3636/4885

“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.