SCHEMBL16786512

SCHEMBL16786512

CCC(=O)N(C)CC(COC)N1C(=O)C=CC1=O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
BLM P54132 1/20 0.34
WRN Q14191 1/20 0.34
HIF1A Q16665 1/20 0.34
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
HSP90AA1 P07900 1/20 0.30
HTT P42858 1/20 0.30
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL12089097 0.81 ALDH1A1 (0.32) ALDH1A1HPGDCYP1A2CYP2C19BLM
SCHEMBL15599422 0.76 MGLL (0.40) ALDH1A1HPGDCYP1A2CYP2C19BLM
SCHEMBL4983632 0.74 MGLL (0.37) ALDH1A1HPGDCYP1A2CYP2C19BLM
SCHEMBL19335970 0.73 MGLL (0.35) ALDH1A1HPGDCYP1A2CYP2C19BLM
SCHEMBL21082757 0.72 MGLL (0.34) ALDH1A1HPGDCYP1A2CYP2C19BLM
SCHEMBL25219511 0.65 DNMT1 (0.41) ALDH1A1HPGDCYP1A2CYP2C19BLM
SCHEMBL25268047 0.65 DNMT1 (0.41) ALDH1A1HPGDCYP1A2CYP2C19BLM
SCHEMBL31087099 0.65 DNMT1 (0.41) ALDH1A1HPGDCYP1A2CYP2C19BLM
SCHEMBL12969435 0.63 RXFP1 (0.33)
SCHEMBL16786513 0.63 ALDH1A1 (0.38) ALDH1A1BLMGSK3AGSK3BHSP90AA1

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-9822353-B2 PEGylated aspartyl-tRNA synthetase polypeptides ATYR PHARMA, INC. (US) 2017-11-21 US disclosed
US-20150159148-A1 PEGYLATED ASPARTYL-TRNA SYNTHETASE POLYPEPTIDES ATYR PHARMA, INC. 2015-06-11 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-20150159148-A1 PEGYLATED ASPARTYL-TRNA SYNTHETASE POLYPEPTIDES AARS1, GARS1, DARS1 ALDH1A1 3820/4885HPGD 3332/4885CYP1A2 3919/4885

“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.