SCHEMBL20952602

SCHEMBL20952602

COc1ccc(COC2CCc3ccc(C(O)c4ccc5c(c4)nnn5C)cc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 4/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 2/20 0.36
BRD4 O60885 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KEAP1 Q14145 4/20 0.35
NFE2L2 Q16236 1/20 0.35
HSD11B1 P28845 1/20 0.35
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GRIN2D O15399 4/20 0.33
GRIN3B O60391 4/20 0.33
GRIN1 Q05586 4/20 0.33
GRIN2A Q12879 4/20 0.33
GRIN2B Q13224 4/20 0.33

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
SCHEMBL21791998 0.90 BRD4 (0.36) NQO1BRD4MAPTSMN1; SMN2GRIN2D
SCHEMBL18322046 0.85 NQO1 (0.48) NQO1KEAP1NFE2L2
SCHEMBL27683936 0.78 KDM4E (0.50) KDM4EHSD17B10NPSR1KEAP1NFE2L2
SCHEMBL21791996 0.77 LMNA (0.34) NQO1BRD4NPSR1MAPTSMN1; SMN2
SCHEMBL20313343 0.76 KDM4E (0.42) HCRTR1HCRTR2KDM4EHSD17B10NPSR1
SCHEMBL18322087 0.75 NQO1 (0.49) NQO1
SCHEMBL18322537 0.75 KEAP1 (0.47) KDM4EHSD17B10NPSR1KEAP1NFE2L2
SCHEMBL31697556 0.75 KEAP1 (0.47) KDM4EHSD17B10NPSR1KEAP1NFE2L2
SCHEMBL28620218 0.71 CYP26A1 (0.43) KDM4EBRD4MAPTALDH1A1
SCHEMBL18322178 0.71 BRD4 (0.38) BRD4GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190224212-A1 Nrf2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2019-07-25 US disclosed
US-10272095-B2 NRF2 regulators GlaxoSmithKline Intellectual Propert Development Limited (GB) 2019-04-30 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 (2 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-10272095-B2 NRF2 regulators NFE2L2, KEAP1, NQO1 NQO1 3/4885HCRTR1 1496/4885HCRTR2 1025/4885
US-20190224212-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 NQO1 3/4885HCRTR1 1496/4885HCRTR2 1025/4885

“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.