SCHEMBL4196703

SCHEMBL4196703

C=C(C)C(=O)OCCN(C)C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
TSHR P16473 3/20 0.48
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CHRM1 P11229 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRM3 P20309 1/20 0.36
CHRNA4 P43681 1/20 0.36
CCNC P24863 1/20 0.30
CDK8 P49336 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
DNM1 Q05193 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
SCHEMBL16309298 0.88 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL9806275 0.86 THRB (0.48) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL1326895 0.86 THRB (0.48) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL4977814 0.85 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL7257389 0.85 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL14984 0.83 CHRM2 (0.54) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL712423 0.83 THRB (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL28671752 0.83 CHRM2 (0.54) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL4909822 0.83 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL625055 0.83 THRB (0.46) 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
US-9556340-B2 Polyoxazoline copolymers 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-01-31 US disclosed
US-20150307718-A1 POLYOXAZOLINE COPOLYMERS SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2015-10-29 US disclosed
EP-1361246-B1 ORGANIC POLYMER AND NOVEL POLYMERIZABLE COMPOUND MITSUI CHEMICALS INC (JP) 2009-02-18 EP disclosed
US-6797805-B2 Organic polymers and novel polymerizable compounds MITSUI CHEMICALS, INC. (JP) 2004-09-28 US disclosed
EP-1361246-A1 ORGANIC POLYMER AND NOVEL POLYMERIZABLE COMPOUND Mitsui Chemicals, Inc. (JP) 2003-11-12 EP disclosed
US-20030166808-A1 Organic polymers and novel polymerizable compound MITSUI CHEMICALS, INC. (JP) 2003-09-04 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-20030166808-A1 Organic polymers and novel polymerizable compound PCNA, UTP18, ODC1 THRB 3081/4885TSHR 3759/4885ALDH1A1 4350/4885

“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.