SCHEMBL23643554

SCHEMBL23643554

CC(=O)OCC(=O)OCC(=O)N(C)CC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
L3MBTL1 Q9Y468 4/20 0.46
MAPK1 P28482 3/20 0.45
HPGD P15428 2/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.41
LMNA P02545 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL23643807 0.96 ALDH1A1 (0.58) ALDH1A1L3MBTL1MAPK1HPGDMAPT
SCHEMBL23643545 0.86 ALDH1A1 (0.72) ALDH1A1L3MBTL1MAPK1SMN1; SMN2LMNA
SCHEMBL18954295 0.84 ALDH1A1 (0.75) ALDH1A1L3MBTL1MAPK1SMN1; SMN2RAB9A
SCHEMBL23643789 0.80 L3MBTL1 (0.50) ALDH1A1L3MBTL1MAPK1HPGDMAPT
SCHEMBL22970829 0.79 ALDH1A1 (0.51) ALDH1A1L3MBTL1MAPK1HPGDMAPT
SCHEMBL20712042 0.79 ALDH1A1 (0.45) ALDH1A1L3MBTL1MAPK1HPGDMAPT
Hydrochloric Acid SCHEMBL11681830 0.78 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPK1HPGDMAPT
SCHEMBL8009812 0.78 NPC1 (0.53) ALDH1A1L3MBTL1MAPK1HPGDMAPT
SCHEMBL8644740 0.77 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPK1HPGDMAPT
SCHEMBL6973123 0.77 LTA4H (0.45) ALDH1A1L3MBTL1MAPK1HPGDMAPT

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-20210214374-A1 COMPOUNDS AND COMPOSITIONS FOR OCULAR DELIVERY Graybug Vision, Inc. (US) 2021-07-15 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-20210214374-A1 COMPOUNDS AND COMPOSITIONS FOR OCULAR DELIVERY KDR, RB1, PDE6C ALDH1A1 2125/4885L3MBTL1 4766/4885MAPK1 785/4885

“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.