SCHEMBL20006332

SCHEMBL20006332

COc1ccc([C@@]23Oc4cc(OCCN(C)C)cc(OC)c4[C@]2(O)[C@H](O)[C@H](c2nnc(N)o2)[C@H]3C)cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EIF4A1 P60842 17/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ CYP3A4 P08684 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ PAX8 Q06710 1/20 0.41
▸ ABHD10 Q9NUJ1 1/20 0.40

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
SCHEMBL24426828 0.91 EIF4A1 (0.44) EIF4A1NFKB1RELACYP3A4HIF1A
SCHEMBL17414039 0.89 EIF4A1 (0.56) EIF4A1NFKB1RELACYP3A4HIF1A
SCHEMBL18836295 0.89 EIF4A1 (0.56) EIF4A1NFKB1RELACYP3A4HIF1A
SCHEMBL29532703 0.89 EIF4A1 (0.56) EIF4A1NFKB1RELACYP3A4HIF1A
SCHEMBL18836016 0.80 EIF4A1 (0.56) EIF4A1NFKB1RELACYP3A4HIF1A
SCHEMBL17414036 0.80 EIF4A1 (0.56) EIF4A1NFKB1RELACYP3A4HIF1A
SCHEMBL29531842 0.80 EIF4A1 (0.56) EIF4A1NFKB1RELACYP3A4HIF1A
SCHEMBL20006510 0.80 EIF4A1 (0.50) EIF4A1NFKB1RELACYP3A4HIF1A
SCHEMBL18862684 0.80 EIF4A1 (0.50) EIF4A1NFKB1RELACYP3A4HIF1A
SCHEMBL24180191 0.78 EIF4A1 (0.65) EIF4A1NFKB1RELACYP3A4HIF1A

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-10519125-B2 Flavagline derivatives PIERRE FABRE MEDICAMENT (FR) 2019-12-31 — — US disclosed
US-20180086729-A1 FLAVAGLINE DERIVATIVES PIERRE FABRE MEDICAMENT (FR) 2018-03-29 — — 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 (2 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-20180086729-A1 FLAVAGLINE DERIVATIVES GCG, GCGR, KRAS EIF4A1 2949/4885NFKB1 3121/4885RELA 3502/4885
US-10519125-B2 Flavagline derivatives GCG, GCGR, KRAS EIF4A1 2949/4885NFKB1 3121/4885RELA 3502/4885

“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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