SCHEMBL1783233

SCHEMBL1783233

CCCCC(C)(O)C/C=C/C=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
TRPA1 O75762 3/20 0.39
MAPT P10636 2/20 0.36
DDAH1 O94760 1/20 0.36
GAPDH P04406 1/20 0.36
LMNA P02545 1/20 0.33
PGR P06401 1/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ABCC4 O15439 1/20 0.33
ABCB11 O95342 1/20 0.33
FDPS P14324 10/20 0.31
GGPS1 O95749 7/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 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
SCHEMBL1783235 1.00 ALDH1A1 (0.39) ALDH1A1TSHRTRPA1MAPTDDAH1
SCHEMBL1783681 0.94 ALDH1A1 (0.42) ALDH1A1TSHRTRPA1MAPTDDAH1
SCHEMBL1783680 0.94 ALDH1A1 (0.42) ALDH1A1TSHRTRPA1MAPTDDAH1
SCHEMBL1782988 0.88 TRPA1 (0.42) ALDH1A1TSHRTRPA1MAPTDDAH1
SCHEMBL1782985 0.88 TRPA1 (0.42) ALDH1A1TSHRTRPA1MAPTDDAH1
SCHEMBL1783758 0.82 TRPA1 (0.41) ALDH1A1TSHRTRPA1MAPTDDAH1
SCHEMBL1783756 0.82 TRPA1 (0.41) ALDH1A1TSHRTRPA1MAPTDDAH1
SCHEMBL1782780 0.81 TRPA1 (0.44) ALDH1A1TSHRTRPA1GAPDH
SCHEMBL1782781 0.81 TRPA1 (0.44) ALDH1A1TSHRTRPA1GAPDH
SCHEMBL1786687 0.79 TSHR (0.40) TSHRFDPSGGPS1

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 520/4885TSHR 2479/4885TRPA1 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.