SCHEMBL22535973

SCHEMBL22535973

COc1c(CNC(=O)OC(C)(C)C)c(OC)c(CNC(=O)OC(C)(C)C)c(OC)c1CNC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ KDM4A O75164 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ GFER P55789 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ CA2 P00918 2/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37

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
SCHEMBL22535990 0.83 TDP1 (0.44) TDP1KDM4ELMNAKDM4AMEN1
SCHEMBL22535987 0.81 TDP1 (0.46) TDP1KDM4ELMNAKDM4AMEN1
SCHEMBL11400715 0.80 KDM4E (0.36) TDP1KDM4ELMNAKDM4AMEN1
SCHEMBL12906668 0.77 KDM4A (0.43) KDM4ELMNAKDM4AGAAL3MBTL1
SCHEMBL31433016 0.77 MEN1 (0.50) TDP1KDM4ELMNAMEN1GAA
SCHEMBL15700313 0.76 HDAC1 (0.44) TDP1KDM4AGAAL3MBTL1CA2
SCHEMBL21484075 0.74 POLB (0.59) LMNAKDM4AMEN1GAAKMT2A
SCHEMBL30662746 0.74 KDM4E (0.40) TDP1KDM4ELMNAKDM4AMEN1
SCHEMBL3180689 0.73 L3MBTL1 (0.61) TDP1KDM4AGAAL3MBTL1CA2
SCHEMBL13977598 0.73 KDM4E (0.49) TDP1KDM4ELMNAKDM4AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365514-A1 MACROCYCLIC COMPOUNDS NOVO NORDISK RESEARCH CENTRE OXFORD LIMITED (GB) 2023-11-16 — — US disclosed
US-20200399232-A1 MACROCYCLIC COMPOUNDS ZIYLO LTD (GB) 2020-12-24 — — US disclosed
US-10800747-B2 Macrocyclic compounds ZIYLO LTD (GB) 2020-10-13 — — 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 (3 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-10800747-B2 Macrocyclic compounds SLC2A4, GALE, MPI TDP1 4740/4885KDM4E 2087/4885LMNA 3419/4885
US-20200399232-A1 MACROCYCLIC COMPOUNDS SLC2A4, GALE, MPI TDP1 4740/4885KDM4E 2087/4885LMNA 3419/4885
US-20230365514-A1 MACROCYCLIC COMPOUNDS SLC2A4, GALE, MPI TDP1 4740/4885KDM4E 2087/4885LMNA 3419/4885

“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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