SCHEMBL9933272

SCHEMBL9933272

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

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
THRB P10828 1/20 0.34
ALDH1A1 P00352 2/20 0.33

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
SCHEMBL9933854 0.84 THRB (0.47) TSHRTHRBALDH1A1
SCHEMBL19798016 0.82 TSHR (0.50) TSHRTHRBALDH1A1
SCHEMBL15337 0.81 TSHR (0.50) TSHRTHRBALDH1A1
SCHEMBL10094795 0.80 TSHR (0.42) TSHRTHRBALDH1A1
SCHEMBL6049830 0.80 TSHR (0.42) TSHRTHRBALDH1A1
SCHEMBL1405976 0.78 TSHR (0.41) TSHRTHRBALDH1A1
SCHEMBL9931933 0.78 PRKCA (0.30)
SCHEMBL10094778 0.78 TSHR (0.41) TSHRTHRBALDH1A1
SCHEMBL23808379 0.77 TSHR (0.40) TSHRTHRBALDH1A1
Propylene Glycol SCHEMBL5473581 0.77 TSHR (0.48) TSHRTHRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809446-B2 Substituted 3-oxopentanoates and their uses in coating compositions EASTMAN CHEMICAL COMPANY (US) 2014-08-19 US disclosed
US-8809446-B2 Substituted 3-oxopentanoates and their uses in coating compositions EASTMAN CHEMICAL COMPANY (US) 2014-08-19 US disclosed
US-8809446-B2 Substituted 3-oxopentanoates and their uses in coating compositions EASTMAN CHEMICAL COMPANY (US) 2014-08-19 US disclosed
EP-2651873-A1 SUBSTITUTED 3-OXOPENTANOATES AND THEIR USES IN COATING COMPOSITIONS Eastman Chemical Company (US) 2013-10-23 EP disclosed
US-20120157609-A1 SUBSTITUTED 3-OXOPENTANOATES AND THEIR USES IN COATING COMPOSITIONS EASTMAN CHEMICAL COMPANY (US) 2012-06-21 US disclosed
US-20120157609-A1 SUBSTITUTED 3-OXOPENTANOATES AND THEIR USES IN COATING COMPOSITIONS EASTMAN CHEMICAL COMPANY (US) 2012-06-21 US disclosed
US-20120157609-A1 SUBSTITUTED 3-OXOPENTANOATES AND THEIR USES IN COATING COMPOSITIONS EASTMAN CHEMICAL COMPANY (US) 2012-06-21 US disclosed
WO-2012082340-A1 SUBSTITUTED 3-OXOPENTANOATES AND THEIR USES IN COATING COMPOSITIONS EASTMAN CHEMICAL COMPANY (US) 2012-06-21 WO disclosed
WO-2012082340-A1 SUBSTITUTED 3-OXOPENTANOATES AND THEIR USES IN COATING COMPOSITIONS EASTMAN CHEMICAL COMPANY (US) 2012-06-21 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-20120157609-A1 SUBSTITUTED 3-OXOPENTANOATES AND THEIR USES IN COATING COMPOSITIONS OXER1, C9, OXGR1 TSHR 4200/4885THRB 3552/4885ALDH1A1 1038/4885

“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.