SCHEMBL4577600

SCHEMBL4577600

CCOC(=O)C(Cc1cnc(C)c(O)c1CO)C(=O)OCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.58
▸ KDM4E B2RXH2 2/20 0.58
▸ HPGD P15428 2/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ LMNA P02545 2/20 0.47
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ PDXK O00764 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ AOX1 Q06278 1/20 0.42
▸ TRIM24 O15164 1/20 0.41
▸ TRIM33 Q9UPN9 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TSHR P16473 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ CA1 P00915 1/20 0.34

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
SCHEMBL4576296 0.85 KDM4E (0.65) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL10076286 0.78 KDM4E (0.79) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL14687821 0.78 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL14015230 0.77 KDM4E (0.71) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL11450052 0.77 KDM4E (0.56) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL11450939 0.76 KDM4E (0.69) ALDH1A1KDM4EHPGDHSD17B10LMNA
Hydrochloric Acid SCHEMBL11452175 0.76 KDM4E (0.55) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL405403 0.75 HPGD (0.63) ALDH1A1KDM4EHPGDHSD17B10LMNA
Pyridoxine SCHEMBL3761205 0.75 KDM4E (0.92) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL5364590 0.75 KDM4E (0.58) ALDH1A1KDM4EHPGDHSD17B10LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442689-B2 Cardioprotective phosphonates and malonates MEDICURE INTERNATIONAL INC. (BB) 2008-10-28 — — US disclosed
US-7442689-B2 Cardioprotective phosphonates and malonates MEDICURE INTERNATIONAL INC. (BB) 2008-10-28 — — US disclosed
US-7442689-B2 Cardioprotective phosphonates and malonates MEDICURE INTERNATIONAL INC. (BB) 2008-10-28 — — US disclosed
US-20040171588-A1 Cardioprotective phosphonates and malonates MEDICURE INTERNATIONAL INC. (CA) 2004-09-02 — — 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-20040171588-A1 Cardioprotective phosphonates and malonates PRDX5, FABP3, PRDX6 ALDH1A1 1489/4885KDM4E 2221/4885HPGD 420/4885

“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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