SCHEMBL20006160

SCHEMBL20006160

COc1ccc([C@@]23Oc4cc(OC)cc(OC)c4C2c2[nH]nc(SC)c2[C@H]3c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ EIF4A1 P60842 14/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ NFKB1 P19838 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ ABHD10 Q9NUJ1 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL20006330 0.80 CYP3A4 (0.48) MEN1KMT2AATMNPSR1EIF4A1
SCHEMBL18862683 0.77 EIF4A1 (0.46) MEN1KMT2AATMNPSR1EIF4A1
SCHEMBL29531658 0.77 EIF4A1 (0.49) MEN1KMT2AATMNPSR1EIF4A1
SCHEMBL18836478 0.77 EIF4A1 (0.49) MEN1KMT2AATMNPSR1EIF4A1
SCHEMBL17414041 0.77 EIF4A1 (0.49) MEN1KMT2AATMNPSR1EIF4A1
SCHEMBL24180245 0.70 CYP3A4 (0.45) MEN1KMT2AATMNPSR1EIF4A1
SCHEMBL20006092 0.66 EIF4A1 (0.51) MEN1KMT2AATMNPSR1EIF4A1
SCHEMBL20006140 0.66 CYP3A4 (0.49) MEN1KMT2AATMNPSR1EIF4A1
SCHEMBL17396544 0.66 CYP3A4 (0.47) MEN1KMT2AATMNPSR1EIF4A1
SCHEMBL24180208 0.65 ABHD10 (0.38) MEN1KMT2AATMNPSR1EIF4A1

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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