SCHEMBL21706405

SCHEMBL21706405

O=C(CCC(=O)ON1C(=O)CCC1=O)OCCCOCCOC(=O)CCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 2/20 0.32
ALOX12 P18054 1/20 0.32
DGKA P23743 1/20 0.32
PSMB5 P28074 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA1A P35348 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
SCHEMBL13821165 0.97 ALOX12 (0.35) PSMB8ALOX12DGKAPSMB5TDP1
SCHEMBL126873 0.94 ADRA2A (0.33) PSMB8ALOX12DGKAPSMB5TDP1
SCHEMBL13041856 0.94 ADRA2A (0.33) PSMB8ALOX12DGKAPSMB5TDP1
SCHEMBL16502332 0.92 EPHX2 (0.38) PSMB8DGKAPSMB5SMN1; SMN2ADRA2A
SCHEMBL9972409 0.91 DGKA (0.41) PSMB8ALOX12DGKAPSMB5SMN1; SMN2
SCHEMBL9972406 0.91 DGKA (0.37) PSMB8ALOX12DGKAPSMB5SMN1; SMN2
SCHEMBL17637586 0.89 DGKA (0.43) PSMB8ALOX12DGKAPSMB5SMN1; SMN2
SCHEMBL141048 0.89 ADRA2A (0.36) PSMB8ALOX12DGKAPSMB5SMN1; SMN2
SCHEMBL28680314 0.88 EPHX2 (0.34) PSMB8PSMB5TDP1ADRA2AADRA1A
SCHEMBL17772541 0.87 ALDH1A1 (0.30) ALOX12

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-20200046845-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. 2020-02-13 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-20200046845-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CDR2, DDOST, GALC PSMB8 1933/4885ALOX12 3900/4885DGKA 735/4885

“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.