SCHEMBL1783553

SCHEMBL1783553

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

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
CDC25B P30305 1/20 0.32
CA1 P00915 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
SCHEMBL1782333 0.89 MEN1 (0.44) MEN1CYP3A4ALOX15KMT2AL3MBTL1
SCHEMBL1785187 0.85 MEN1 (0.42) MEN1CYP3A4ALOX15KMT2AL3MBTL1
SCHEMBL2355653 0.82 MEN1 (0.56) MEN1CYP3A4ALOX15KMT2APTPN2
SCHEMBL1783470 0.81 MEN1 (0.31) MEN1CYP3A4ALOX15KMT2A
SCHEMBL17715626 0.80 MEN1 (0.40) MEN1CYP3A4ALOX15KMT2AL3MBTL1
SCHEMBL1785825 0.79 MEN1 (0.33) MEN1CYP3A4ALOX15KMT2AL3MBTL1
SCHEMBL1785823 0.79 MEN1 (0.33) MEN1CYP3A4ALOX15KMT2AL3MBTL1
SCHEMBL1781347 0.79 TSHR (0.37) MEN1CYP3A4ALOX15KMT2A
SCHEMBL12826729 0.79 L3MBTL1 (0.39) MEN1CYP3A4ALOX15KMT2AL3MBTL1
SCHEMBL1784499 0.79 FDPS (0.31)

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 2 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

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 MEN1 251/4885CYP3A4 2262/4885ALOX15 1416/4885

“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.