SCHEMBL13622860

SCHEMBL13622860

C=C1CC(=O)N(CC(O)COCC(O)COCC(O)CN2C(=O)CC(=C)C2=O)C1=O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
TSHR P16473 1/20 0.32
KMT2A Q03164 2/20 0.32
RAB9A P51151 1/20 0.31
GAA P10253 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL13622859 0.92 MAPK1 (0.38) MAPK1TSHRKMT2ARAB9AGAA
SCHEMBL13622861 0.90 MAPK1 (0.35) MAPK1
SCHEMBL13622834 0.87 MAPK1 (0.33) MAPK1KMT2AGAAALDH1A1
SCHEMBL13622835 0.84 MAPK1 (0.33) MAPK1
SCHEMBL13622843 0.77 GAA (0.35) TSHRKMT2AGAAALDH1A1
SCHEMBL10018590 0.77 POLB (0.30)
SCHEMBL4903488 0.73 GAA (0.44) GAAALDH1A1
SCHEMBL13622842 0.73 THRB (0.33)
SCHEMBL13622847 0.72
SCHEMBL13622844 0.72

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-20090286001-A1 ACTIVE-ENERGY RADIATION-POLYMERIZABLE SUBSTANCE, ACTIVE-ENERGY RADIATION-CURABLE LIQUID COMPOSITION, ACTIVE-ENERGY RADIATION-CURABLE INK, INK JET RECORDING METHOD, INK CARTRIDGE, RECORDING UNIT, AND INK JET RECORDING APPARATUS CANON KABUSHIKI KAISHA (JP) 2009-11-19 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-20090286001-A1 ACTIVE-ENERGY RADIATION-POLYMERIZABLE SUBSTANCE, ACTIVE-ENERGY RADIATION-CURABLE LIQUID COMPOSITION, ACTIVE-ENERGY RADIATION-CURABLE INK, INK JET RECORDING METHOD, INK CARTRIDGE, RECORDING UNIT, AND INK JET RECORDING APPARATUS DACH1, MMP1, IDUA MAPK1 649/4885TSHR 4606/4885KMT2A 1334/4885

“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.