SCHEMBL20807097

SCHEMBL20807097

CCC1(OC(=O)COc2ccc(C(=O)OC3c4cc5c(cc4[C@H](c4cc(OC)c(OC)c(OC)c4)[C@H]4C(=O)OC[C@@H]34)OCO5)cc2)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 9/20 0.47
▸ LMNA P02545 3/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ HIF1A Q16665 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ USP2 O75604 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ CASP1 P29466 2/20 0.47
▸ BRCA1 P38398 2/20 0.47
▸ CASP7 P55210 2/20 0.47
▸ HBB P68871 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ KEAP1 Q14145 2/20 0.47
▸ NFE2L2 Q16236 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ SLC22A2 O15244 1/20 0.47
▸ TOP2A P11388 1/20 0.47
▸ TOP2B Q02880 1/20 0.47
▸ SLC47A2 Q86VL8 1/20 0.47

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
SCHEMBL18774804 1.00 TOP1 (0.47) TOP1LMNAKDM4ESMN1; SMN2HIF1A
SCHEMBL20807206 1.00 TOP1 (0.47) TOP1LMNAKDM4ESMN1; SMN2HIF1A
SCHEMBL24062828 0.96 TOP1 (0.46) TOP1LMNAKDM4ESMN1; SMN2HIF1A
SCHEMBL20807209 0.94 TOP1 (0.47) TOP1LMNAKDM4ESMN1; SMN2HIF1A
SCHEMBL20807096 0.92 HDAC3 (0.40) TOP1LMNAKDM4ESMN1; SMN2HIF1A
SCHEMBL18774810 0.92 HDAC3 (0.40) TOP1LMNAKDM4ESMN1; SMN2HIF1A
SCHEMBL13672591 0.89 KDM4E (0.51) TOP1LMNAKDM4ESMN1; SMN2HIF1A
SCHEMBL13675189 0.89 KDM4E (0.51) TOP1LMNAKDM4ESMN1; SMN2HIF1A
SCHEMBL2602723 0.89 KDM4E (0.51) TOP1LMNAKDM4ESMN1; SMN2HIF1A
SCHEMBL13675227 0.89 KDM4E (0.51) TOP1LMNAKDM4ESMN1; SMN2HIF1A

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-20190077813-A1 PODOPHYLLOTOXIN DERIVATIVES AND THEIR USE CALIFORNIA PACIFIC MEDICAL CENTER (US) 2019-03-14 — — 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-20190077813-A1 PODOPHYLLOTOXIN DERIVATIVES AND THEIR USE CCNT2, CCNT1, CCNY TOP1 1486/4885LMNA 227/4885KDM4E 4332/4885

“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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