SCHEMBL3860018

SCHEMBL3860018

COc1c(C(C)(C)C)ccc(C=CC(=O)CC(=O)c2ccccc2)c1O[SiH](C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.44
TNFRSF1A P19438 1/20 0.40
MAPT P10636 5/20 0.36
BACE1 P56817 4/20 0.36
APP P05067 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
THRB P10828 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 2/20 0.34
LMNA P02545 1/20 0.34
BCHE P06276 1/20 0.34
ALOX5 P09917 1/20 0.34
NFKB1 P19838 1/20 0.34
STAT3 P40763 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
ABCG2 Q9UNQ0 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
SCHEMBL3856121 0.87 NFE2L2 (0.43) NFE2L2TNFRSF1AMAPTBACE1APP
SCHEMBL3857395 0.86 NFE2L2 (0.45) NFE2L2TNFRSF1AMAPTBACE1APP
SCHEMBL12098191 0.82 TNFRSF1A (0.40) NFE2L2TNFRSF1AKMT2AALDH1A1THRB
SCHEMBL12098212 0.77 TNFRSF1A (0.34) NFE2L2TNFRSF1AABCG2CYP1A1CYP1A2
SCHEMBL3855734 0.75 NFE2L2 (0.33) NFE2L2TNFRSF1ANPC1RAB9ALMNA
SCHEMBL12098004 0.74 TNFRSF1A (0.33) NFE2L2TNFRSF1AABCG2
SCHEMBL3861970 0.74 NFE2L2 (0.32) NFE2L2TNFRSF1AABCG2
SCHEMBL1620557 0.71 CA1 (0.39) TNFRSF1AALDH1A1TDP1
SCHEMBL7713703 0.69 LCK (0.44) MAPTBACE1APPKMT2AMEN1
SCHEMBL3842254 0.67 BACE1 (0.67) NFE2L2MAPTBACE1APPKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589123-B2 Chemical compounds PHYTOPHARM PLC (GB) 2009-09-15 US 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 234/4885TNFRSF1A 3063/4885MAPT 1646/4885

“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.