SCHEMBL3861970

SCHEMBL3861970

COc1c(C(C)(C)C)ccc(C=CC(=O)C(C)C(=O)c2ccc(C(C)(C)C)c(OC)c2O[SiH](C)C)c1O[SiH](C)C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
CHRNA7 P36544 1/20 0.32
TNFRSF1A P19438 2/20 0.32

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
SCHEMBL3855734 0.87 NFE2L2 (0.33) NFE2L2ABCG2TNFRSF1A
SCHEMBL3856121 0.82 NFE2L2 (0.43) NFE2L2ABCG2CHRNA7TNFRSF1A
SCHEMBL12098191 0.81 TNFRSF1A (0.40) NFE2L2ABCG2TNFRSF1A
SCHEMBL12098212 0.80 TNFRSF1A (0.34) NFE2L2ABCG2TNFRSF1A
SCHEMBL27779117 0.79 NR1H4 (0.31)
SCHEMBL3857395 0.78 NFE2L2 (0.45) NFE2L2ABCG2TNFRSF1A
SCHEMBL12098004 0.77 TNFRSF1A (0.33) NFE2L2ABCG2TNFRSF1A
SCHEMBL3860128 0.76 ABCG2 (0.34) NFE2L2ABCG2TNFRSF1A
SCHEMBL3856248 0.75 MDM2 (0.40) NFE2L2ABCG2TNFRSF1A
SCHEMBL3857504 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589123-B2 Chemical compounds PHYTOPHARM PLC (GB) 2009-09-15 US claimed
US-7589123-B2 Chemical compounds PHYTOPHARM PLC (GB) 2009-09-15 US disclosed
CN-101511350-A Dioxo-alkanes and dioxo-alkenes PHYTOPHARM PLC (GB) 2009-08-19 CN disclosed
EP-2046311-A2 DIOXO-ALKANES AND DIOXO-ALKENES Phytopharm Plc (GB) 2009-04-15 EP disclosed
US-20080045591-A1 Chemical Compounds VECTURA LIMITED (GB) 2008-02-21 US disclosed
WO-2008003978-A2 DIOXO-ALKANES AND DIOXO-ALKENES PHYTOPHARM PLC (GB) 2008-01-10 WO 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-20080045591-A1 Chemical Compounds CYP11B1, CYP11B2, CYP2S1 NFE2L2 234/4885ABCG2 39/4885CHRNA7 390/4885

“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.