SCHEMBL21814404

SCHEMBL21814404

[CH2]C(=O)N(C)CC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
EGFR P00533 2/20 0.45
HCAR2 Q8TDS4 1/20 0.42
CDC25B P30305 1/20 0.42
ABCB1 P08183 1/20 0.41

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
SCHEMBL2221455 0.84 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL6900506 0.84 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL8377215 0.83 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL8377212 0.83 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL19726788 0.83 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL14586581 0.83 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL8644740 0.83 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL11586183 0.81 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL22970829 0.81 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1MAPTHPGD
SCHEMBL2189336 0.81 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1MAPTHPGD

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-20210214374-A1 COMPOUNDS AND COMPOSITIONS FOR OCULAR DELIVERY Graybug Vision, Inc. (US) 2021-07-15 US disclosed
WO-2020069353-A1 COMPOUNDS AND COMPOSITIONS FOR OCULAR DELIVERY Graybug Vision, Inc. (US) 2020-04-02 WO 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 2125/4885MAPK1 785/4885L3MBTL1 4766/4885

“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.