SCHEMBL1785952

SCHEMBL1785952

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

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL1785951 1.00 BTN3A1 (0.34) BTN3A1ALDH1A1
SCHEMBL1782954 0.79 BTN3A1 (0.32) BTN3A1
SCHEMBL1782955 0.79 BTN3A1 (0.32) BTN3A1
SCHEMBL1782872 0.78 FDPS (0.31) BTN3A1
SCHEMBL1782869 0.78 FDPS (0.31) BTN3A1
SCHEMBL1782657 0.76 FDPS (0.31) BTN3A1
SCHEMBL1782659 0.76 FDPS (0.31) BTN3A1
SCHEMBL9498942 0.75 BTN3A1 (0.31) BTN3A1
SCHEMBL9498937 0.75 BTN3A1 (0.31) BTN3A1
SCHEMBL1784829 0.75 BTN3A1 (0.35) BTN3A1ALDH1A1

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 BTN3A1 576/4885ALDH1A1 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.