SCHEMBL9932802

SCHEMBL9932802

C=C(C)C(=O)OC1C(C)(C)C(O)C1(C)C

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TSHR P16473 3/20 0.33
THRB P10828 1/20 0.31

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
SCHEMBL9883026 0.89 ALDH1A1 (0.46) ALDH1A1TSHRTHRB
SCHEMBL20787032 0.77 SMN1; SMN2 (0.33) ALDH1A1TSHR
SCHEMBL9933063 0.75 ALDH1A1 (0.39) ALDH1A1TSHRTHRB
SCHEMBL22206100 0.72 ALDH1A1 (0.39) ALDH1A1TSHRTHRB
SCHEMBL18022214 0.71 ALDH1A1 (0.36) ALDH1A1
SCHEMBL23627434 0.70 TSHR (0.47) ALDH1A1TSHRTHRB
SCHEMBL10204653 0.70 ALDH1A1 (0.33) ALDH1A1
SCHEMBL14816289 0.68 ALDH1A1 (0.44) ALDH1A1TSHRTHRB
SCHEMBL14816334 0.68 ALDH1A1 (0.44) ALDH1A1TSHRTHRB
SCHEMBL14633722 0.68 ALDH1A1 (0.44) ALDH1A1TSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809447-B2 Acetoacetate-functional monomers and their uses in coating compositions EASTMAN CHEMICAL COMPANY (US) 2014-08-19 US disclosed
EP-2651874-A1 ACETOACETATE-FUNCTIONAL MONOMERS AND THEIR USES IN COATING COMPOSITIONS Eastman Chemical Company (US) 2013-10-23 EP disclosed
US-20120157610-A1 ACETOACETATE-FUNCTIONAL MONOMERS AND THEIR USES IN COATING COMPOSITIONS EASTMAN CHEMICAL COMPANY (US) 2012-06-21 US disclosed
WO-2012082348-A1 ACETOACETATE-FUNCTIONAL MONOMERS 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-20120157610-A1 ACETOACETATE-FUNCTIONAL MONOMERS AND THEIR USES IN COATING COMPOSITIONS ACACA, AMD1, ACAT2 ALDH1A1 17/4885TSHR 4616/4885THRB 2391/4885

“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.