SCHEMBL1657191

SCHEMBL1657191

CCCCC=C(C)C(C)O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
EP300 Q09472 1/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
KMT2A Q03164 1/20 0.34
SPHK1 Q9NYA1 1/20 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
SCHEMBL1657189 1.00 GRIK1 (0.35) GRIK1TSHRALDH1A1EP300MEN1
SCHEMBL12987110 0.83 GRIK1 (0.36) GRIK1TSHRALDH1A1EP300MEN1
SCHEMBL12987113 0.83 GRIK1 (0.36) GRIK1TSHRALDH1A1EP300MEN1
SCHEMBL23448634 0.79 GRIK1 (0.42) GRIK1TSHRALDH1A1EP300MEN1
SCHEMBL11580775 0.78 GRIK1 (0.36) GRIK1TSHRALDH1A1EP300MEN1
SCHEMBL11973439 0.76 EP300 (0.43) TSHREP300MEN1CYP3A4KMT2A
SCHEMBL11973443 0.76 EP300 (0.43) TSHREP300MEN1CYP3A4KMT2A
SCHEMBL11973489 0.74 EP300 (0.42) TSHREP300MEN1CYP3A4KMT2A
SCHEMBL11973124 0.74 EP300 (0.47) TSHREP300MEN1CYP3A4KMT2A
SCHEMBL11973121 0.74 EP300 (0.47) TSHREP300MEN1CYP3A4KMT2A

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 6 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-20130131169-A1 COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-05-23 US disclosed
US-8377458-B2 Cooling sensation agent composition, sensory stimulation agent composition and use of the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-02-19 US disclosed
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-05-19 US disclosed
US-20110081393-A1 COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME TAKASAGO INTERNATIONAL CORPORATION 2011-04-07 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 (3 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 GRIK1 2913/4885TSHR 2479/4885ALDH1A1 520/4885
US-20110081393-A1 COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME TRPA1, TRPV1, TRPM4 GRIK1 3515/4885TSHR 3786/4885ALDH1A1 685/4885
US-20130131169-A1 COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME TRPA1, TRPV1, TRPM4 GRIK1 3515/4885TSHR 3786/4885ALDH1A1 685/4885

“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.