SCHEMBL5163013

SCHEMBL5163013

CC(C)CCOC(=O)CN1C(=O)C=CC1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.62
GSK3B P49841 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 4/20 0.46
CYP1A2 P05177 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
BLM P54132 1/20 0.46
WRN Q14191 1/20 0.46
HIF1A Q16665 1/20 0.46
CYP19A1 P11511 1/20 0.45
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 2/20 0.38
PKM P14618 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
PIN1 Q13526 1/20 0.37
PIN4 Q9Y237 1/20 0.37

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
SCHEMBL5166321 0.84 ALDH1A1 (0.44) GSK3AGSK3BL3MBTL1ALDH1A1CYP1A2
SCHEMBL15023637 0.82 GSK3A (0.56) GSK3AGSK3BL3MBTL1ALDH1A1CYP1A2
SCHEMBL5165574 0.81 PTGS1 (0.44) GSK3AGSK3BL3MBTL1ALDH1A1CYP1A2
SCHEMBL5165562 0.81 GSK3A (0.73) GSK3AGSK3BALDH1A1CYP1A2HPGD
SCHEMBL15023927 0.80 GSK3A (0.58) GSK3AGSK3BALDH1A1CYP1A2HPGD
SCHEMBL7097517 0.79 GSK3A (0.66) GSK3AGSK3BALDH1A1CYP1A2HPGD
SCHEMBL15023723 0.79 GSK3A (0.56) GSK3AGSK3BALDH1A1CYP1A2HPGD
SCHEMBL5163801 0.79 PTGS1 (0.53) GSK3AGSK3BALDH1A1CYP1A2HPGD
SCHEMBL31722122 0.79 GSK3A (0.53) GSK3AGSK3BL3MBTL1ALDH1A1CYP1A2
SCHEMBL5164620 0.79 PTGS1 (0.53) GSK3AGSK3BALDH1A1CYP1A2HPGD

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
EP-1582548-B1 PROCESS FOR PRODUCING POLYMERIZABLE POLYBRANCHED POLYESTER DAINIPPON INK & CHEMICALS (JP) 2007-03-28 EP disclosed
CN-1303130-C Process for producing polymerizable polybranched polyester DAINIPPON INK & CHEMICALS (JP) 2007-03-07 CN disclosed
US-7141642-B2 Process for producing polymerizable polybranched polyester DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-11-28 US disclosed
US-20060047140-A1 Process for producing polymerizable polybranched polyester DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-03-02 US disclosed
CN-1714113-A Process for producing polymerizable polybranched polyester DAINIPPON INK & CHEMICALS (JP) 2005-12-28 CN disclosed
EP-1582548-A1 PROCESS FOR PRODUCING POLYMERIZABLE POLYBRANCHED POLYESTER DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-10-05 EP 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-20060047140-A1 Process for producing polymerizable polybranched polyester ACSL4, ACSL1, HACL2 GSK3A 2879/4885GSK3B 3375/4885L3MBTL1 1318/4885

“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.