SCHEMBL4398227

SCHEMBL4398227

CCOCC(C)(C)C(O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.38
TSHR P16473 1/20 0.33
MAPK1 P28482 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
SCHEMBL4402881 0.80 TRPA1 (0.37) TRPA1MAPK1
SCHEMBL15361787 0.79 TSHR (0.39) TRPA1TSHR
SCHEMBL20016189 0.79 HSD17B10 (0.42) TRPA1
SCHEMBL2454510 0.78 TRPA1 (0.36) TRPA1TSHRMAPK1
SCHEMBL4405273 0.77 TRPA1 (0.35) TRPA1
SCHEMBL9324017 0.75 TSHR (0.34) TSHR
SCHEMBL14421166 0.75 LMNA (0.30)
SCHEMBL5175834 0.75 USP2 (0.39) TRPA1
SCHEMBL20016191 0.75 MEN1 (0.42) TRPA1TSHRMAPK1
SCHEMBL24851860 0.74 TRPA1 (0.39) TRPA1MAPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1380559-B1 Ethers of 2,2,4-trimethylpentane-1, 3-diol as fragrance materials TAKASAGO PERFUMERY CO LTD (JP) 2009-12-23 EP disclosed
EP-1380559-B1 Ethers of 2,2,4-trimethylpentane-1, 3-diol as fragrance materials TAKASAGO PERFUMERY CO LTD (JP) 2009-12-23 EP disclosed
US-7132391-B2 Ethers of 2,2,4-trimethylpentane-1,3-diol as fragrance materials TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-11-07 US disclosed
US-20040014633-A1 Ethers of 2,2,4-trimethylpentane-1,3-diol as fragrance materials TAKASAGO INTERNATIONAL CORPORATION 2004-01-22 US disclosed
EP-1380559-A1 Ethers of 2,2,4-trimethylpentane-1, 3-diol as fragrance materials Takasago International Corporation (JP) 2004-01-14 EP 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-20040014633-A1 Ethers of 2,2,4-trimethylpentane-1,3-diol as fragrance materials DEGS1, DAGLA, DHCR24 TRPA1 20/4885TSHR 4040/4885MAPK1 1084/4885

“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.