SCHEMBL1786613

SCHEMBL1786613

COC(CC(C)C)C(C)=CC(C)=O

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 2/20 0.32
CACNA2D1 P54289 2/20 0.31
ALDH1A1 P00352 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31
RNPEP Q9H4A4 1/20 0.30
SLC7A5 Q01650 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
KISS1R Q969F8 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
SCHEMBL1786611 1.00 LAP3 (0.32) LAP3CACNA2D1ALDH1A1CACNB3CACNA1C
SCHEMBL1784614 0.83 PTPN1 (0.31)
SCHEMBL1784613 0.83 PTPN1 (0.31)
SCHEMBL1782756 0.82 CA1 (0.30)
SCHEMBL1782757 0.82 CA1 (0.30)
SCHEMBL1782338 0.79
SCHEMBL1782341 0.79
SCHEMBL14560234 0.76 LAP3 (0.36) LAP3CACNA2D1ALDH1A1CACNB3CACNA1C
SCHEMBL1781745 0.76 LAP3 (0.36) LAP3CACNA2D1ALDH1A1CACNB3CACNA1C
SCHEMBL1785711 0.76 CHRM1 (0.32) ADRA1ATDP1

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 LAP3 4807/4885CACNA2D1 4215/4885ALDH1A1 520/4885

“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.