SCHEMBL2044229

SCHEMBL2044229

C=C(C)C(=O)OCCNCCC(C=O)CCCCCCC=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
THRB P10828 1/20 0.34
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL2047037 0.95 TSHR (0.39) TSHRTHRBUSP2ALDH1A1CYP3A4
SCHEMBL2042374 0.86 TSHR (0.37) TSHRTHRBPOLBAPEX1HTT
SCHEMBL2047035 0.81 TSHR (0.38) TSHRTHRBUSP2ALDH1A1CYP3A4
SCHEMBL2043006 0.79 TSHR (0.37) TSHRTHRBPOLBAPEX1HTT
SCHEMBL2044226 0.78 TSHR (0.38) TSHRTHRBUSP2ALDH1A1CYP3A4
SCHEMBL761853 0.76 TSHR (0.65) TSHRTHRBUSP2ALDH1A1CYP3A4
SCHEMBL27552938 0.76 TSHR (0.65) TSHRTHRBUSP2ALDH1A1CYP3A4
SCHEMBL11523374 0.76 TSHR (0.65) TSHRTHRBUSP2ALDH1A1CYP3A4
SCHEMBL29218362 0.76 TSHR (0.65) TSHRTHRBUSP2ALDH1A1CYP3A4
SCHEMBL10925276 0.74 TSHR (0.61) TSHRTHRBUSP2ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110144267-A1 FUNCTIONALIZED (METH)ACRYLATE MONOMER, POLYMER, COATING AGENT, AND PRODUCTION AND CROSS-LINKING METHOD EVONIK ROEHM GMBH (DE) 2011-06-16 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-20110144267-A1 FUNCTIONALIZED (METH)ACRYLATE MONOMER, POLYMER, COATING AGENT, AND PRODUCTION AND CROSS-LINKING METHOD DNMT1, TET1, MGMT TSHR 2023/4885THRB 2750/4885USP2 2077/4885

“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.