SCHEMBL20006485

SCHEMBL20006485

COc1ccc([C@@]23Oc4cc(OCCCCN)cc(OC)c4C2[C@H](O)[C@H](N)[C@H]3c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ EIF4A1 P60842 14/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ CYP3A4 P08684 2/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ ABHD10 Q9NUJ1 1/20 0.38
▸ ESR1 P03372 2/20 0.37
▸ PGR P06401 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ CHRM1 P11229 1/20 0.37

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
SCHEMBL20006331 0.80 CYP3A4 (0.41) MEN1KMT2AATMNPSR1EIF4A1
SCHEMBL18836001 0.80 EIF4A1 (0.61) EIF4A1NFKB1RELACYP3A4HIF1A
SCHEMBL17414023 0.80 EIF4A1 (0.61) EIF4A1NFKB1RELACYP3A4HIF1A
SCHEMBL20006149 0.78 CYP3A4 (0.42) MEN1KMT2AATMNPSR1EIF4A1
SCHEMBL20006092 0.77 EIF4A1 (0.51) MEN1KMT2AATMNPSR1EIF4A1
Formic Acid SCHEMBL29531940 0.77 EIF4A1 (0.59) EIF4A1NFKB1RELACYP3A4HIF1A
SCHEMBL17414025 0.75 EIF4A1 (0.69) EIF4A1NFKB1RELACYP3A4HIF1A
SCHEMBL29532014 0.75 EIF4A1 (0.69) EIF4A1NFKB1RELACYP3A4HIF1A
SCHEMBL18836165 0.75 EIF4A1 (0.69) EIF4A1NFKB1RELACYP3A4HIF1A
SCHEMBL18836223 0.75 EIF4A1 (0.69) 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 MEN1 462/4885KMT2A 2790/4885ATM 4306/4885
US-10519125-B2 Flavagline derivatives GCG, GCGR, KRAS MEN1 462/4885KMT2A 2790/4885ATM 4306/4885

“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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