SCHEMBL1783226

SCHEMBL1783226

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

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA2 P00918 8/20 0.40
MAPK1 P28482 1/20 0.40
CA1 P00915 6/20 0.39
SLC15A1 P46059 1/20 0.37
FDPS P14324 1/20 0.37
GPR84 Q9NQS5 4/20 0.36
ACE2 Q9BYF1 1/20 0.35

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
SCHEMBL1786228 0.86 ALDH1A1 (0.48) ALDH1A1TDP1CA1FDPSGPR84
SCHEMBL22500721 0.82 GPR84 (0.50) ALDH1A1TDP1CA2MAPK1GPR84
SCHEMBL13863445 0.81 TDP1 (0.39) ALDH1A1TDP1
Bicarbonate SCHEMBL6442737 0.80 CA2 (0.52) TDP1CA2MAPK1CA1SLC15A1
SCHEMBL7943803 0.80 ALDH1A1 (0.44) ALDH1A1CA2MAPK1CA1SLC15A1
SCHEMBL1369967 0.79 ALDH1A1 (0.46) ALDH1A1TDP1CA2MAPK1CA1
SCHEMBL22345156 0.77 DNM1 (0.47) ALDH1A1TDP1CA2MAPK1CA1
SCHEMBL3185161 0.77 DNM1 (0.47) ALDH1A1TDP1CA2MAPK1CA1
SCHEMBL13863440 0.77 ALDH1A1 (0.39) ALDH1A1TDP1
SCHEMBL28752342 0.76 CA2 (0.47) ALDH1A1TDP1CA2MAPK1CA1

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 3995/4885CA2 3566/4885

“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.