SCHEMBL3860128

SCHEMBL3860128

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

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.34
KMT2A Q03164 1/20 0.34
TNFRSF1A P19438 2/20 0.34
NFE2L2 Q16236 2/20 0.33
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP1B1 Q16678 1/20 0.32
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTPN1 P18031 1/20 0.30

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
SCHEMBL12098191 0.84 TNFRSF1A (0.40) ABCG2KMT2ATNFRSF1ANFE2L2CYP1A1
SCHEMBL3857395 0.81 NFE2L2 (0.45) ABCG2KMT2ATNFRSF1ANFE2L2
SCHEMBL3855734 0.80 NFE2L2 (0.33) ABCG2TNFRSF1ANFE2L2CYP1A1CYP1A2
SCHEMBL3856121 0.79 NFE2L2 (0.43) ABCG2KMT2ATNFRSF1ANFE2L2
SCHEMBL12098212 0.76 TNFRSF1A (0.34) ABCG2TNFRSF1ANFE2L2CYP1A1CYP1A2
SCHEMBL3861970 0.76 NFE2L2 (0.32) ABCG2TNFRSF1ANFE2L2
SCHEMBL1620557 0.76 CA1 (0.39) TNFRSF1A
SCHEMBL3860018 0.75 NFE2L2 (0.44) ABCG2KMT2ATNFRSF1ANFE2L2CYP1A1
SCHEMBL12098004 0.74 TNFRSF1A (0.33) ABCG2TNFRSF1ANFE2L2
SCHEMBL3856248 0.71 MDM2 (0.40) ABCG2TNFRSF1ANFE2L2CYP1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ABCG2 39/4885KMT2A 3581/4885TNFRSF1A 3063/4885

“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.