SCHEMBL13622825

SCHEMBL13622825

CC(COCC(O)CN1C(=O)C=CC1=O)OCC(O)CN1C(=O)C=CC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 3/20 0.33
BLM P54132 2/20 0.33
MGLL Q99685 2/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
THPO P40225 1/20 0.33
PMP22 Q01453 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
WRN Q14191 1/20 0.33
HIF1A Q16665 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
RAD52 P43351 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
SCHEMBL11994263 0.80 MGLL (0.48) MAPK1KMT2AALDH1A1BLMMGLL
SCHEMBL10018582 0.76 KAT2A (0.33) TDP1KMT2AMGLLCYP2C19
SCHEMBL16301155 0.76 KMT2A (0.41) MAPK1KMT2AALDH1A1BLMMGLL
SCHEMBL13622834 0.75 MAPK1 (0.33) MAPK1TDP1KMT2AALDH1A1RAD52
SCHEMBL13622855 0.74 MAPK1 (0.40) MAPK1KMT2AALDH1A1BLMMGLL
SCHEMBL17358921 0.74 MGLL (0.51) MAPK1TDP1ALDH1A1BLMMGLL
SCHEMBL11927409 0.73 MGLL (0.46) MAPK1ALDH1A1BLMMGLLGMNN
SCHEMBL17358922 0.73 MGLL (0.50) MAPK1TDP1ALDH1A1BLMMGLL
SCHEMBL16708751 0.71 MGLL (0.51) MAPK1ALDH1A1MGLLLMNAMAPT
SCHEMBL17924941 0.71 MGLL (0.41) MAPK1ALDH1A1BLMMGLLGMNN

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 649/4885TDP1 703/4885KMT2A 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.