SCHEMBL1786335

SCHEMBL1786335

CC/C=C/C(C)(C)C(C)=O

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
FFAR1 O14842 1/20 0.31
MAPT P10636 1/20 0.31
CYP19A1 P11511 1/20 0.31
RXRA P19793 1/20 0.31
PPARG P37231 1/20 0.31
OXER1 Q8TDS5 1/20 0.31
TRPA1 O75762 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
GAA P10253 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
SCHEMBL1786337 1.00 ALDH1A1 (0.31) ALDH1A1FFAR1MAPTCYP19A1RXRA
SCHEMBL9718363 0.80 ALDH1A1 (0.35) ALDH1A1FFAR1MAPTCYP19A1RXRA
SCHEMBL9718359 0.80 ALDH1A1 (0.35) ALDH1A1FFAR1MAPTCYP19A1RXRA
SCHEMBL21292006 0.78 FFAR1 (0.30) ALDH1A1FFAR1MAPTCYP19A1RXRA
SCHEMBL21292007 0.78 FFAR1 (0.30) ALDH1A1FFAR1MAPTCYP19A1RXRA
SCHEMBL7402580 0.75
SCHEMBL13017864 0.75 DGAT1 (0.35) ALDH1A1OXER1
SCHEMBL11748059 0.75 DGAT1 (0.35) ALDH1A1OXER1
SCHEMBL11748066 0.75 DGAT1 (0.35) ALDH1A1OXER1
SCHEMBL15218025 0.73 FFAR1 (0.30) ALDH1A1FFAR1MAPTCYP19A1RXRA

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 520/4885FFAR1 229/4885MAPT 906/4885

“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.