SCHEMBL976423

SCHEMBL976423

C=C(C)C(=O)OCOCOC

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.48
TSHR P16473 3/20 0.47
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 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
SCHEMBL16346281 0.91 THRB (0.56) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL12458545 0.89 THRB (0.54) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL285496 0.89
SCHEMBL30241679 0.89 THRB (0.54) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL13310704 0.84 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL31186662 0.84 THRB (0.61) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL283704 0.83 THRB (0.66) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL2120181 0.83 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL14879615 0.83 THRB (0.59) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL5521699 0.82 THRB (0.63) THRBTSHRALDH1A1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101573030-B Production of solid solutions of pesticides by short term superheating and rapid drying BASF SE 2015-01-28 CN disclosed
US-8003738-B2 Method of producing aqueous secondary dispersions of water-insoluble polymers BASF SE (DE) 2011-08-23 US disclosed
US-7872067-B2 Aqueous formulations of water-insoluble active materials using an addition-condensation polymer based on methyl methacrylate-styrene copolymer with 2-mercaptoethanol end groups reacted with a diisocyanate and a polyoxyethylene glycol; dispersions; plant safening agents; insecticides; stability; drugs BASF AKTIENGESELLSCHAFT (DE) 2011-01-18 US disclosed
US-20080287593-A1 Amphiphilic Polymer Compositions and their Use BASF AKTIENGESELLSCHAFT (DE) 2008-11-20 US disclosed
US-20080167189-A1 Polymer Compositions and Their Use in the Production of Active or Effective Ingredient Compositions BASF AKTIENGESELLSCHAFT (DE) 2008-07-10 US disclosed
US-20060122321-A1 Method of producing aqueous secondary dispersions of water-insoluble polymers BASF AKTIENGESELLSCHAFT (DE) 2006-06-08 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-20080167189-A1 Polymer Compositions and Their Use in the Production of Active or Effective Ingredient Compositions GANC, PHOSPHO1, PGLS THRB 4840/4885TSHR 4882/4885ALDH1A1 4263/4885

“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.