SCHEMBL20006092

SCHEMBL20006092

CN[C@@H]1[C@@H](c2ccccc2)[C@]2(c3ccc(OC)cc3)Oc3cc(OC)cc(OC)c3C2[C@@H]1O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EIF4A1 P60842 16/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ NFKB1 P19838 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ ABHD10 Q9NUJ1 1/20 0.44

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
SCHEMBL20006501 0.78 CYP3A4 (0.47) EIF4A1CYP3A4HIF1AALDH1A1TSHR
SCHEMBL20006458 0.78 CYP3A4 (0.46) EIF4A1CYP3A4HIF1AALDH1A1TSHR
SCHEMBL20006485 0.77 MEN1 (0.43) EIF4A1CYP3A4HIF1AALDH1A1TSHR
SCHEMBL20006140 0.74 CYP3A4 (0.49) EIF4A1CYP3A4HIF1AALDH1A1TSHR
SCHEMBL17396544 0.74 CYP3A4 (0.47) EIF4A1CYP3A4HIF1AALDH1A1TSHR
SCHEMBL18836344 0.74 EIF4A1 (0.75) EIF4A1CYP3A4HIF1ANFKB1RELA
SCHEMBL17414006 0.74 EIF4A1 (0.75) EIF4A1CYP3A4HIF1ANFKB1RELA
SCHEMBL29532144 0.74 EIF4A1 (0.75) EIF4A1CYP3A4HIF1ANFKB1RELA
SCHEMBL24180245 0.73 CYP3A4 (0.45) EIF4A1CYP3A4HIF1AALDH1A1TSHR
SCHEMBL20006149 0.72 CYP3A4 (0.42) EIF4A1CYP3A4HIF1AALDH1A1TSHR

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 2949/4885CYP3A4 50/4885HIF1A 1998/4885
US-10519125-B2 Flavagline derivatives GCG, GCGR, KRAS EIF4A1 2949/4885CYP3A4 50/4885HIF1A 1998/4885

“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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