SCHEMBL2616375

SCHEMBL2616375

CNC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(C)cc(C)cc3O[C@@]2(c2ccc(Br)cc2)[C@@H]1c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EIF4A1 P60842 18/20 0.52
CYP3A4 P08684 1/20 0.49
HIF1A Q16665 1/20 0.49
NFKB1 P19838 1/20 0.46
RELA Q04206 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL2616370 0.90 EIF4A1 (0.65) EIF4A1CYP3A4HIF1ACYP2C9MAPK1
SCHEMBL2616376 0.90 EIF4A1 (0.51) EIF4A1CYP3A4HIF1ANFKB1RELA
SCHEMBL2616374 0.88 EIF4A1 (0.60) EIF4A1CYP3A4HIF1ANFKB1RELA
SCHEMBL2616383 0.81 EIF4A1 (0.55) EIF4A1CYP3A4HIF1ACYP2C9MAPK1
SCHEMBL18864999 0.81 EIF4A1 (0.53) EIF4A1CYP3A4HIF1ANFKB1RELA
SCHEMBL18865002 0.81 EIF4A1 (0.53) EIF4A1CYP3A4HIF1ANFKB1RELA
SCHEMBL2616384 0.81 EIF4A1 (0.42) EIF4A1CYP3A4HIF1ANFKB1RELA
SCHEMBL12455864 0.80 EIF4A1 (0.75) EIF4A1CYP3A4HIF1ANFKB1RELA
SCHEMBL12455862 0.80 EIF4A1 (0.75) EIF4A1CYP3A4HIF1ANFKB1RELA
SCHEMBL23893750 0.80 EIF4A1 (0.63) EIF4A1CYP3A4HIF1ANFKB1RELA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101153-A1 ROCAGLAOL DERIVATIVES AS CARDIOPROTECTANT AGENTS AND AS ANTINEOPLASTIC AGENTS UNIVERSITE DE STRASBOURG (FR) 2012-04-26 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 (1 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-20120101153-A1 ROCAGLAOL DERIVATIVES AS CARDIOPROTECTANT AGENTS AND AS ANTINEOPLASTIC AGENTS BAX, BAD, CASP3 EIF4A1 4136/4885CYP3A4 1802/4885HIF1A 1693/4885

“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.