SCHEMBL13229148

SCHEMBL13229148

CCN(CC)c1ccc(C(=O)c2ccccc2C(=O)OCC(O)C2OC(=O)C(OCc3ccccc3)=C2OCc2ccccc2)c(O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ NOX1 Q9Y5S8 1/20 0.35
▸ BACE1 P56817 1/20 0.34
▸ MAOB P27338 4/20 0.34
▸ TDP1 Q9NUW8 3/20 0.32
▸ PDK1 Q15118 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ HSPD1 P10809 1/20 0.32
▸ HSPE1 P61604 1/20 0.32
▸ TST Q16762 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32

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
SCHEMBL13261881 0.88 L3MBTL1 (0.47) KMT2AL3MBTL1MEN1SMN1; SMN2ALDH1A1
SCHEMBL13013509 0.85 ALDH1A1 (0.49) KMT2AL3MBTL1MEN1SMN1; SMN2ALDH1A1
SCHEMBL2791873 0.84 SMN1; SMN2 (0.53) KMT2AL3MBTL1MEN1SMN1; SMN2ALDH1A1
SCHEMBL2791869 0.84 SMN1; SMN2 (0.53) KMT2AL3MBTL1MEN1SMN1; SMN2ALDH1A1
SCHEMBL13013513 0.83 ALDH1A1 (0.40) KMT2AL3MBTL1MEN1SMN1; SMN2ALDH1A1
SCHEMBL13062418 0.79 ALDH1A1 (0.43) KMT2AL3MBTL1MEN1SMN1; SMN2ALDH1A1
SCHEMBL3783878 0.77 ALDH1A1 (0.53) KMT2AL3MBTL1MEN1SMN1; SMN2ALDH1A1
SCHEMBL3769984 0.76 ALDH1A1 (0.52) KMT2AL3MBTL1MEN1SMN1; SMN2ALDH1A1
SCHEMBL3778699 0.76 ALDH1A1 (0.52) KMT2AL3MBTL1MEN1SMN1; SMN2ALDH1A1
SCHEMBL3771807 0.76 ALDH1A1 (0.52) KMT2AL3MBTL1MEN1SMN1; SMN2ALDH1A1

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-9023889-B2 Use of ascorbic acid derivatives for the functionalization of matrices MERCK PATENT GMBH (DE) 2015-05-05 — — US disclosed
US-20100167936-A1 USE OF ASCORBIC ACID DERIVATIVES FOR THE FUNCTIONALIZATION OF MATRICES MERCK PATENT GESELLSCHAFT (DE) 2010-07-01 — — 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-20100167936-A1 USE OF ASCORBIC ACID DERIVATIVES FOR THE FUNCTIONALIZATION OF MATRICES PROC, TTPA, COX6C KMT2A 4296/4885L3MBTL1 4596/4885MEN1 2468/4885

“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.

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