SCHEMBL18774805

SCHEMBL18774805

CC[C@@]1(OC(O)COc2ccc(C(=O)O[C@H]3c4cc5c(cc4[C@@H](c4cc(OC)c(OC)c(OC)c4)[C@H]4C(=O)OC[C@@H]43)OCO5)cc2)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OC(=O)N4CCC(N5CCCCC5)CC4)ccc3nc2-1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 9/20 0.54
▸ GLA P06280 3/20 0.44
▸ GAA P10253 3/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ SLC22A2 O15244 1/20 0.44
▸ SLC22A1 O15245 1/20 0.44
▸ SLC22A3 O75751 1/20 0.44
▸ MMP1 P03956 1/20 0.44
▸ CHRM4 P08173 1/20 0.44
▸ ADRA2C P18825 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ SLC47A2 Q86VL8 1/20 0.44
▸ SLC47A1 Q96FL8 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ PAX8 Q06710 1/20 0.43

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
SCHEMBL20807154 0.94 TOP1 (0.54) TOP1GLAGAACYP3A4SLC22A2
SCHEMBL18774814 0.94 TOP1 (0.54) TOP1GLAGAACYP3A4SLC22A2
SCHEMBL18774811 0.94 TOP1 (0.54) TOP1GLAGAACYP3A4SLC22A2
SCHEMBL18774812 0.92 TOP1 (0.52) TOP1GLAGAACYP3A4SLC22A2
SCHEMBL18782739 0.92 TOP1 (0.52) TOP1GLAGAACYP3A4SLC22A2
SCHEMBL24062788 0.90 TOP1 (0.53) TOP1GLAGAACYP3A4SLC22A2
SCHEMBL20807093 0.88 TOP1 (0.55) TOP1GLAGAACYP3A4SLC22A2
SCHEMBL20807126 0.87 GLA (0.55) TOP1GLAGAACYP3A4SLC22A2
SCHEMBL18774807 0.87 GLA (0.55) TOP1GLAGAACYP3A4SLC22A2
SCHEMBL18774809 0.87 GLA (0.55) TOP1GLAGAACYP3A4SLC22A2

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 4 patents. 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
US-20200277310-A1 PODOPHYLLOTOXIN DERIVATIVES AND THEIR USE CALIFORNIA PACIFIC MEDICAL CENTER (US) 2020-09-03 — — US disclosed
US-20170114076-A1 PODOPHYLLOTOXIN DERIVATIVES AND THEIR USE DIGNITY HEALTH 2017-04-27 — — US disclosed
US-20170114076-A1 PODOPHYLLOTOXIN DERIVATIVES AND THEIR USE DIGNITY HEALTH 2017-04-27 — — 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-20200277310-A1 PODOPHYLLOTOXIN DERIVATIVES AND THEIR USE CASP7, CASP3, PTMA TOP1 1318/4885GLA 620/4885GAA 2672/4885
US-11186594-B2 Podophyllotoxin derivatives and their use CASP7, CASP3, PTMA TOP1 1318/4885GLA 620/4885GAA 2672/4885
US-20170114076-A1 PODOPHYLLOTOXIN DERIVATIVES AND THEIR USE CASP7, CASP3, PTMA TOP1 1318/4885GLA 620/4885GAA 2672/4885

“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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