SCHEMBL20807096

SCHEMBL20807096

CCc1c2c(nc3ccc(O)c(CN(C)C)c13)-c1cc3c(c(=O)n1C2)COC(=O)C3(CC)OC(=O)COc1ccc(C(=O)OC2c3cc4c(cc3[C@H](c3cc(OC)c(OC)c(OC)c3)[C@H]3C(=O)OC[C@@H]23)OCO4)cc1

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
▸ LMNA P02545 3/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ TOP1 P11387 5/20 0.39
▸ TUBB4A P04350 1/20 0.38
▸ TUBB P07437 1/20 0.38
▸ TUBA3C P0DPH7 1/20 0.38
▸ AKT1 P31749 1/20 0.38
▸ TUBA1B P68363 1/20 0.38
▸ TUBA4A P68366 1/20 0.38
▸ TUBB4B P68371 1/20 0.38
▸ TUBB3 Q13509 1/20 0.38
▸ TUBB2A Q13885 1/20 0.38
▸ TUBB8 Q3ZCM7 1/20 0.38
▸ TUBA3E Q6PEY2 1/20 0.38
▸ TUBA1A Q71U36 1/20 0.38
▸ TUBA1C Q9BQE3 1/20 0.38
▸ TUBB6 Q9BUF5 1/20 0.38

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 1.00 HDAC3 (0.40) HDAC3HDAC1HDAC6LMNACYP3A4
SCHEMBL24062776 0.96 HDAC3 (0.40) HDAC3HDAC1HDAC6LMNACYP3A4
SCHEMBL18774804 0.92 TOP1 (0.47) HDAC3HDAC1HDAC6LMNACYP3A4
SCHEMBL20807206 0.92 TOP1 (0.47) HDAC3HDAC1HDAC6LMNACYP3A4
SCHEMBL20807097 0.92 TOP1 (0.47) HDAC3HDAC1HDAC6LMNACYP3A4
SCHEMBL18774813 0.90 HDAC3 (0.46) HDAC3HDAC1HDAC6LMNACYP3A4
SCHEMBL24062828 0.88 TOP1 (0.46) HDAC3HDAC1HDAC6LMNACYP3A4
SCHEMBL20807209 0.87 TOP1 (0.47) HDAC3HDAC1HDAC6LMNACYP3A4
SCHEMBL2602723 0.86 KDM4E (0.51) HDAC3HDAC1HDAC6LMNACYP3A4
SCHEMBL13675189 0.86 KDM4E (0.51) HDAC3HDAC1HDAC6LMNACYP3A4

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 HDAC3 1650/4885HDAC1 813/4885HDAC6 890/4885

“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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