SCHEMBL1786388

SCHEMBL1786388

CC(=O)C1=CCCC(C)C1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.37
CHRNA4 P43681 3/20 0.37
CHRNA7 P36544 2/20 0.37
ALDH1A1 P00352 1/20 0.37
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 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
SCHEMBL2867698 0.83 GABRR1 (0.44) USP2LMNATSHR
SCHEMBL2531784 0.79 CHRM3 (0.47) ALDH1A1LMNATSHR
SCHEMBL11203322 0.79 ALDH1A1 (0.30) ALDH1A1
SCHEMBL1784979 0.78
SCHEMBL11103334 0.73
SCHEMBL13090831 0.72 THRB (0.38) ALDH1A1LMNA
SCHEMBL6900517 0.71 ALDH1A1 (0.31) CHRNB2CHRNA4CHRNA7ALDH1A1LMNA
SCHEMBL6759564 0.71 ALDH1A1 (0.31) CHRNB2CHRNA4CHRNA7ALDH1A1LMNA
Acetic Acid Methyl Ester SCHEMBL4321573 0.69 ALDH1A1 (0.36) CHRNB2CHRNA4CHRNA7ALDH1A1LMNA
SCHEMBL1658619 0.69

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 CHRNB2 345/4885CHRNA4 166/4885CHRNA7 294/4885

“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.