SCHEMBL17209333

SCHEMBL17209333

CC1OC(OCC(O)C(O)C(O)C(O)C(I)Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)C(O)C1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P4HB P07237 6/20 0.66
▸ KDM4E B2RXH2 4/20 0.66
▸ MAOA P21397 3/20 0.66
▸ EPHX2 P34913 3/20 0.66
▸ XDH P47989 3/20 0.66
▸ L3MBTL1 Q9Y468 3/20 0.66
▸ SLCO2B1 O94956 2/20 0.66
▸ AKR1B1 P15121 2/20 0.66
▸ PIM2 Q9P1W9 2/20 0.66
▸ ALDH1A1 P00352 1/20 0.66
▸ CA12 O43570 1/20 0.66
▸ CA2 P00918 1/20 0.66
▸ CA4 P22748 1/20 0.66
▸ CA7 P43166 1/20 0.66
▸ MAPT P10636 2/20 0.64
▸ HES1 Q14469 2/20 0.64
▸ FANCF Q9NPI8 2/20 0.64
▸ KDM1A O60341 1/20 0.64
▸ POLB P06746 1/20 0.64
▸ PRSS1 P07477 1/20 0.64

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
SCHEMBL20802174 0.83 KDM4E (0.64) P4HBKDM4EMAOAEPHX2XDH
SCHEMBL13393799 0.81 NQO2 (0.66) P4HBKDM4EMAOAEPHX2XDH
SCHEMBL20802114 0.81 P4HB (0.66) P4HBKDM4EMAOAEPHX2XDH
Quercitrin SCHEMBL811472 0.80 P4HB (1.00) P4HBKDM4EMAOAEPHX2XDH
Quercitrin SCHEMBL1697151 0.80 P4HB (1.00) P4HBKDM4EMAOAEPHX2XDH
Quercitrin SCHEMBL4227921 0.80 P4HB (1.00) P4HBKDM4EMAOAEPHX2XDH
Quercitrin SCHEMBL117644 0.80 P4HB (1.00) P4HBKDM4EMAOAEPHX2XDH
Quercitrin SCHEMBL6849807 0.80 P4HB (1.00) P4HBKDM4EMAOAEPHX2XDH
Quercitrin SCHEMBL5456136 0.80 P4HB (1.00) P4HBKDM4EMAOAEPHX2XDH
Quercitrin SCHEMBL3206092 0.80 P4HB (1.00) P4HBKDM4EMAOAEPHX2XDH

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-20150306122-A1 APP SPECIFIC BACE INHIBITORS (ASBIs) AND USES THEREOF BUCK INSTITUTE FOR RESEARCH ON AGING 2015-10-29 — — 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-20150306122-A1 APP SPECIFIC BACE INHIBITORS (ASBIs) AND USES THEREOF BACE1, APP, GRN P4HB 2617/4885KDM4E 3559/4885MAOA 426/4885

“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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