SCHEMBL24062776

SCHEMBL24062776

C=C1OC[C@H]2C(OC(=O)c3ccc(OCC(=O)OC4(CC)C(=O)OCc5c4cc4n(c5=O)Cc5c-4nc4ccc(O)c(CN(C)C)c4c5CC)cc3)c3cc4c(cc3[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]12)OCO4

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 8/20 0.40
▸ HDAC1 Q13547 8/20 0.40
▸ HDAC6 Q9UBN7 8/20 0.40
▸ TOP1 P11387 7/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ HIF1A Q16665 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ USP2 O75604 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ CASP1 P29466 2/20 0.37
▸ BRCA1 P38398 2/20 0.37
▸ CASP7 P55210 2/20 0.37
▸ HBB P68871 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ KEAP1 Q14145 2/20 0.37
▸ NFE2L2 Q16236 2/20 0.37
▸ SLC22A2 O15244 1/20 0.37
▸ CYP3A4 P08684 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
SCHEMBL18774810 0.96 HDAC3 (0.40) HDAC3HDAC1HDAC6TOP1KDM4E
SCHEMBL20807096 0.96 HDAC3 (0.40) HDAC3HDAC1HDAC6TOP1KDM4E
SCHEMBL24062828 0.92 TOP1 (0.46) HDAC3HDAC1HDAC6TOP1KDM4E
SCHEMBL18774804 0.88 TOP1 (0.47) HDAC3HDAC1HDAC6TOP1KDM4E
SCHEMBL20807097 0.88 TOP1 (0.47) HDAC3HDAC1HDAC6TOP1KDM4E
SCHEMBL20807206 0.88 TOP1 (0.47) HDAC3HDAC1HDAC6TOP1KDM4E
SCHEMBL18774813 0.85 HDAC3 (0.46) HDAC3HDAC1HDAC6TOP1LMNA
SCHEMBL24062777 0.85 GLA (0.54) HDAC3HDAC1HDAC6TOP1KDM4E
SCHEMBL20807209 0.82 TOP1 (0.47) HDAC3HDAC1HDAC6TOP1KDM4E
SCHEMBL24062788 0.81 TOP1 (0.53) TOP1KDM4ESMN1; SMN2HIF1ALMNA

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-11186594-B2 Podophyllotoxin derivatives and their use CALIFORNIA PACIFIC MEDICAL CENTER (US) 2021-11-30 — — 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-11186594-B2 Podophyllotoxin derivatives and their use CASP7, CASP3, PTMA HDAC3 3016/4885HDAC1 2136/4885HDAC6 1055/4885

“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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