SCHEMBL1658258

SCHEMBL1658258

CCCCC(C=CC(C)CO)OC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
MAPT P10636 2/20 0.34
TRPA1 O75762 1/20 0.34
DDAH1 O94760 1/20 0.34
GAPDH P04406 1/20 0.34
LMNA P02545 1/20 0.32
TSHR P16473 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ACHE P22303 1/20 0.32
BACE1 P56817 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MAPK1 P28482 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
SCHEMBL1658257 1.00 ALDH1A1 (0.36) ALDH1A1MAPTTRPA1DDAH1GAPDH
SCHEMBL1658196 0.95 MAPT (0.41) ALDH1A1MAPTTRPA1DDAH1GAPDH
SCHEMBL1658198 0.95 MAPT (0.41) ALDH1A1MAPTTRPA1DDAH1GAPDH
SCHEMBL1658746 0.89 TSHR (0.38) TSHRMEN1KMT2A
SCHEMBL1658745 0.89 TSHR (0.38) TSHRMEN1KMT2A
SCHEMBL1657462 0.80 MEN1 (0.35) GAPDHTSHRMEN1KMT2A
SCHEMBL1657461 0.80 MEN1 (0.35) GAPDHTSHRMEN1KMT2A
SCHEMBL1783120 0.74 TSHR (0.39) MAPTTRPA1DDAH1GAPDHTSHR
SCHEMBL1783119 0.74 TSHR (0.39) MAPTTRPA1DDAH1GAPDHTSHR
SCHEMBL1783024 0.74 CA2 (0.39) ALDH1A1MAPTTRPA1DDAH1GAPDH

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 ALDH1A1 520/4885MAPT 906/4885TRPA1 1/4885
US-20110081393-A1 COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME TRPA1, TRPV1, TRPM4 ALDH1A1 685/4885MAPT 898/4885TRPA1 1/4885
US-20130131169-A1 COOLING SENSATION AGENT COMPOSITION, SENSORY STIMULATION AGENT COMPOSITION AND USE OF THE SAME TRPA1, TRPV1, TRPM4 ALDH1A1 685/4885MAPT 898/4885TRPA1 1/4885

“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.