SCHEMBL29304528

SCHEMBL29304528

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.55
ALDH1A1 P00352 5/20 0.54
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HPGD P15428 1/20 0.48
PPID Q08752 1/20 0.47
KMT2A Q03164 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALOX5 P09917 1/20 0.45
NR1H4 Q96RI1 1/20 0.45

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
SCHEMBL19726788 0.93 ALDH1A1 (0.61) LTA4HALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL8911820 0.89 ALDH1A1 (0.56) LTA4HALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL18283191 0.89 ALDH1A1 (0.56) LTA4HALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL8337648 0.85 ALDH1A1 (0.57) LTA4HALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL21107863 0.85 ALDH1A1 (0.49) LTA4HALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL6900506 0.84 ALDH1A1 (0.51) LTA4HALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL4533147 0.84 ALDH1A1 (0.51) LTA4HALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL9998357 0.84 ALDH1A1 (0.49) LTA4HALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL24127602 0.83 LTA4H (0.55) LTA4HALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL25942983 0.83 LTA4H (0.53) LTA4HALDH1A1MAPK1L3MBTL1MAPT

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-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES (US) 2024-07-11 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-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 LTA4H 286/4885ALDH1A1 3041/4885MAPK1 2943/4885

“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.