SCHEMBL1781480

SCHEMBL1781480

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.39
TSHR P16473 2/20 0.39
CES2 O00748 2/20 0.39
HPGD P15428 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.36
CA1 P00915 1/20 0.34
TRPV1 Q8NER1 2/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SQLE Q14534 2/20 0.32
TRPA1 O75762 1/20 0.32
FAAH O00519 2/20 0.32

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
SCHEMBL1781481 1.00 CES1 (0.39) CES1TSHRCES2HPGDALDH1A1
SCHEMBL1783778 0.93 CES2 (0.41) CES1TSHRCES2ALDH1A1TRPA1
SCHEMBL1783776 0.93 CES2 (0.41) CES1TSHRCES2ALDH1A1TRPA1
SCHEMBL1784001 0.91 TSHR (0.43) CES1TSHRCES2ALDH1A1
SCHEMBL1784002 0.91 TSHR (0.43) CES1TSHRCES2ALDH1A1
SCHEMBL1782405 0.86
SCHEMBL1782404 0.86
SCHEMBL19734639 0.80 TSHR (0.48) CES1TSHRCES2HPGDALDH1A1
SCHEMBL13866366 0.79 CES1 (0.40) CES1TSHRCES2ALDH1A1TP53
SCHEMBL6095021 0.79 SQLE (0.42) CES1CES2ALDH1A1TRPV1SQLE

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 CES1 1998/4885TSHR 2479/4885CES2 1371/4885

“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.