SCHEMBL2616374

SCHEMBL2616374

Cc1cc(C)c2c(c1)O[C@@]1(c3ccc(Br)cc3)[C@H](c3ccccc3)[C@@H](C(=O)N(C)C)[C@@H](O)[C@@]21O

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EIF4A1 P60842 19/20 0.60
NFKB1 P19838 1/20 0.60
RELA Q04206 1/20 0.60
CYP3A4 P08684 1/20 0.47
HIF1A Q16665 1/20 0.47

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
SCHEMBL12455880 0.89 EIF4A1 (0.76) EIF4A1NFKB1RELACYP3A4HIF1A
SCHEMBL15077722 0.89 EIF4A1 (0.76) EIF4A1NFKB1RELACYP3A4HIF1A
SCHEMBL12455875 0.89 EIF4A1 (0.76) EIF4A1NFKB1RELACYP3A4HIF1A
SCHEMBL2616376 0.89 EIF4A1 (0.51) EIF4A1NFKB1RELACYP3A4HIF1A
SCHEMBL2616375 0.88 EIF4A1 (0.52) EIF4A1NFKB1RELACYP3A4HIF1A
SCHEMBL2616370 0.87 EIF4A1 (0.65) EIF4A1CYP3A4HIF1A
SCHEMBL2616368 0.86 EIF4A1 (0.54) EIF4A1NFKB1RELACYP3A4HIF1A
SCHEMBL18877894 0.84 EIF4A1 (0.52) EIF4A1NFKB1RELACYP3A4HIF1A
SCHEMBL18470692 0.82 EIF4A1 (0.66) EIF4A1NFKB1RELACYP3A4HIF1A
SCHEMBL18864412 0.81 EIF4A1 (0.63) 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 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 4136/4885NFKB1 2164/4885RELA 2680/4885

“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.