SCHEMBL20006331

SCHEMBL20006331

COc1ccc([C@@]23Oc4cc(OCCCCN)cc(OC)c4C2[C@@H]2OC(=O)N[C@@H]2[C@H]3c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ABHD10 Q9NUJ1 1/20 0.39
▸ EIF4A1 P60842 15/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL20006161 0.92 CYP3A4 (0.43) CYP3A4ALDH1A1TSHRCYP2C19ABHD10
SCHEMBL20006140 0.90 CYP3A4 (0.49) CYP3A4ALDH1A1TSHRCYP2C19ABHD10
SCHEMBL20006103 0.87 CYP3A4 (0.40) CYP3A4ALDH1A1TSHRCYP2C19ABHD10
SCHEMBL20006485 0.80 MEN1 (0.43) CYP3A4ALDH1A1TSHRCYP2C19ABHD10
SCHEMBL17396559 0.78 ABHD10 (0.61) CYP3A4ABHD10EIF4A1NFKB1RELA
SCHEMBL17396562 0.78 ABHD10 (0.61) CYP3A4ABHD10EIF4A1NFKB1RELA
SCHEMBL24426931 0.77 ALDH1A1 (0.34) CYP3A4ALDH1A1TSHRCYP2C19MEN1
SCHEMBL18862721 0.77 ABHD10 (0.50) CYP3A4ABHD10EIF4A1NFKB1RELA
SCHEMBL17396618 0.73 ABHD10 (0.63) CYP3A4ABHD10EIF4A1NFKB1RELA
SCHEMBL17396619 0.73 ABHD10 (0.63) CYP3A4ABHD10EIF4A1NFKB1RELA

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 CYP3A4 50/4885ALDH1A1 585/4885TSHR 4145/4885
US-10519125-B2 Flavagline derivatives GCG, GCGR, KRAS CYP3A4 50/4885ALDH1A1 585/4885TSHR 4145/4885

“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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