SCHEMBL4533147

SCHEMBL4533147

CCOC(=O)CN(CC(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
PPID Q08752 1/20 0.44
LTA4H P09960 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 2/20 0.44
PPARG P37231 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALOX5 P09917 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42

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
SCHEMBL13603920 0.92 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL8624227 0.91 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2MAPTPPIDLTA4H
SCHEMBL13603924 0.88 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL13603876 0.88 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL28678550 0.87 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1SMN1; SMN2MAPT
SCHEMBL17700288 0.86 TSHR (0.54) ALDH1A1L3MBTL1SMN1; SMN2PPIDLTA4H
SCHEMBL4517708 0.86 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2MAPTPPIDLTA4H
SCHEMBL29304528 0.84 LTA4H (0.55) ALDH1A1MAPK1L3MBTL1SMN1; SMN2MAPT
SCHEMBL14508465 0.84 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2MAPTHPGDPPID
SCHEMBL8623129 0.84 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2PPIDKMT2APPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 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-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ROCK1, ROCK2, RHOA ALDH1A1 3985/4885MAPK1 180/4885L3MBTL1 2646/4885

“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.