SCHEMBL13675190

SCHEMBL13675190

CC[C@@]1(OC(=O)COc2ccc(C(=O)O[C@@H]3c4cc5c(cc4C(c4cc(OC)c(O)c(OC)c4)C4C(=O)OCC43)OCO5)cc2)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.51
▸ GLA P06280 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ HPGD P15428 3/20 0.51
▸ HTT P42858 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ GAA P10253 2/20 0.51
▸ RXFP1 Q9HBX9 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ HIF1A Q16665 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ TOP1 P11387 15/20 0.47
▸ TP53 P04637 2/20 0.42
▸ HDAC3 O15379 2/20 0.42
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ STAT6 P42226 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CHEK1 O14757 1/20 0.42

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
SCHEMBL18265579 1.00 KDM4E (0.51) KDM4EGLAALDH1A1HPGDHTT
SCHEMBL13675227 0.96 KDM4E (0.51) KDM4EGLAALDH1A1HPGDHTT
SCHEMBL2602723 0.96 KDM4E (0.51) KDM4EGLAALDH1A1HPGDHTT
SCHEMBL13672589 0.96 KDM4E (0.51) KDM4EGLAALDH1A1HPGDHTT
SCHEMBL13675189 0.96 KDM4E (0.51) KDM4EGLAALDH1A1HPGDHTT
SCHEMBL13672591 0.96 KDM4E (0.51) KDM4EGLAALDH1A1HPGDHTT
SCHEMBL18265581 0.95 KDM4E (0.49) KDM4EGLAALDH1A1HPGDHTT
SCHEMBL20807097 0.86 TOP1 (0.47) KDM4EGLAALDH1A1HPGDHTT
SCHEMBL20807206 0.86 TOP1 (0.47) KDM4EGLAALDH1A1HPGDHTT
SCHEMBL18774804 0.86 TOP1 (0.47) KDM4EGLAALDH1A1HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605262-B2 Podophyllotoxin derivatives SUTTER WEST BAY HOSPITALS (US) 2009-10-20 — — US disclosed
US-20080113941-A1 Podophyllotoxin Derivatives CALIFORNIA PACIFIC MEDICAL CENTER 2008-05-15 — — 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-20080113941-A1 Podophyllotoxin Derivatives APEH, DAGLA, DPY30 KDM4E 37/4885GLA 1195/4885ALDH1A1 285/4885

“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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