SCHEMBL1786112

SCHEMBL1786112

CCCC(C)C(C)C(OC)C(C)=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.34
FAAH O00519 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ZDHHC7 Q9NXF8 1/20 0.32
CYP3A4 P08684 2/20 0.31
TSHR P16473 2/20 0.31
NFKB1 P19838 2/20 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
SCHEMBL1782784 0.88 METAP1 (0.36) METAP1FAAHCA1CA2CHRM1
SCHEMBL1782724 0.83 ALDH1A1 (0.32) CA1CA2ALDH1A1LMNAHSD17B10
SCHEMBL13039796 0.78 SLC1A3 (0.39) CYP3A4TSHRALDH1A1
SCHEMBL13218879 0.78 SLC1A3 (0.30)
SCHEMBL1782165 0.76 CA2 (0.41) FAAHCA1CA2TDP1ZDHHC7
SCHEMBL1782795 0.74 FAAH (0.44) FAAHCA1ZDHHC7ABCB1LMNA
SCHEMBL1784785 0.74 SLC1A3 (0.38) TSHRALDH1A1
SCHEMBL1786098 0.73 SLC1A3 (0.36) CYP3A4TSHRALDH1A1
SCHEMBL1782834 0.72 METAP1 (0.38) METAP1FAAHCA1CHRM1AKR1A1
SCHEMBL1782750 0.72 METAP1 (0.32) METAP1

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 METAP1 3904/4885FAAH 94/4885CA1 3505/4885

“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.