SCHEMBL1786098

SCHEMBL1786098

COC(C(C)=O)C(C)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 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
SCHEMBL13039796 0.89 SLC1A3 (0.39) SLC1A3SLC1A2SLC1A1TSHRALDH1A1
SCHEMBL15116682 0.83
SCHEMBL13611203 0.83
SCHEMBL1782724 0.77 ALDH1A1 (0.32) SLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL4889082 0.76
SCHEMBL13218879 0.75 SLC1A3 (0.30) SLC1A3SLC1A2SLC1A1
SCHEMBL1786112 0.73 METAP1 (0.34) TSHRALDH1A1CYP3A4
SCHEMBL11326280 0.70 TSHR (0.46) SLC1A3SLC1A2SLC1A1SMN1; SMN2TSHR
SCHEMBL1784785 0.70 SLC1A3 (0.38) SLC1A3SLC1A2SLC1A1TSHRALDH1A1
SCHEMBL9751358 0.69 SLC1A3 (0.40) SLC1A3SLC1A2SLC1A1SMN1; SMN2TSHR

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 2 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

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 SLC1A3 4740/4885SLC1A2 4505/4885SLC1A1 4617/4885

“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.