SCHEMBL1784893

SCHEMBL1784893

CCCC(C)/C=C/CCC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
ASAH2 Q9NR71 1/20 0.34
LTB4R Q15722 1/20 0.33
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CNR2 P34972 1/20 0.32
CYP3A4 P08684 2/20 0.31
TSHR P16473 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
SCHEMBL1784896 1.00 ALDH1A1 (0.35) ALDH1A1TAS1R3TAS1R1ASAH2LTB4R
SCHEMBL13937926 0.86 TAS1R3 (0.41) ALDH1A1TAS1R3TAS1R1ASAH2LTB4R
SCHEMBL1784355 0.86 ALDH1A1 (0.36) ALDH1A1TAS1R3TAS1R1ASAH2HDAC2
SCHEMBL1784356 0.86 ALDH1A1 (0.36) ALDH1A1TAS1R3TAS1R1ASAH2HDAC2
SCHEMBL13474977 0.78 PPARG (0.50) ASAH2CHRM1TDP1CYP3A4NPSR1
SCHEMBL2003662 0.75 TAS1R3 (0.38) ALDH1A1TAS1R3TAS1R1TSHR
SCHEMBL2003661 0.75 TAS1R3 (0.38) ALDH1A1TAS1R3TAS1R1TSHR
SCHEMBL29101697 0.75 TAS1R3 (0.38) ALDH1A1TAS1R3TAS1R1TSHR
SCHEMBL29101703 0.75 TAS1R3 (0.38) ALDH1A1TAS1R3TAS1R1TSHR
SCHEMBL1783300 0.75 ALDH1A1 (0.38) ALDH1A1TDP1CYP3A4MAPT

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 520/4885TAS1R3 65/4885TAS1R1 21/4885

“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.