SCHEMBL1789263

SCHEMBL1789263

CC1(C)CCCC(C=O)=C1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
ALDH1A1 P00352 7/20 0.36
CYP3A4 P08684 4/20 0.36
APP P05067 3/20 0.36
SNCA P37840 3/20 0.36
ALOX15 P16050 2/20 0.36
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NR2E1 Q9Y466 1/20 0.36
HAO1 Q9UJM8 1/20 0.35
PTGS1 P23219 4/20 0.33
LMNA P02545 2/20 0.33
DRD3 P35462 2/20 0.33
SLCO1B3 Q9NPD5 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
RXRA P19793 7/20 0.32
RARA P10276 7/20 0.32
RARB P10826 7/20 0.32
RARG P13631 7/20 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
SCHEMBL2491578 0.78 CYP1A2 (0.37) CYP1A2ALDH1A1CYP3A4APPSNCA
Cyclocitral SCHEMBL309759 0.78 CYP1A2 (0.58) CYP1A2ALDH1A1CYP3A4APPSNCA
SCHEMBL1659388 0.77 CYP1A2 (0.36) CYP1A2ALDH1A1CYP3A4APPSNCA
SCHEMBL13278278 0.77 CYP1A2 (0.33) CYP1A2
SCHEMBL8476262 0.74 CYP1A2 (0.53) CYP1A2ALDH1A1CYP3A4APPSNCA
SCHEMBL8476259 0.74 CYP1A2 (0.53) CYP1A2ALDH1A1CYP3A4APPSNCA
SCHEMBL1790698 0.72 CYP1A2 (0.37) CYP1A2ALDH1A1CYP3A4APPSNCA
SCHEMBL14995072 0.68 CYP1A2 (0.43) CYP1A2ALDH1A1CYP3A4APPSNCA
SCHEMBL4447818 0.67 CYP1A2 (0.55) CYP1A2ALDH1A1CYP3A4APPSNCA
SCHEMBL1700400 0.66 PTGS2 (0.33) ALDH1A1PTGS1MAPTKDM4ESLC6A2

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 CYP1A2 856/4885ALDH1A1 520/4885CYP3A4 2262/4885

“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.