SCHEMBL18322178

SCHEMBL18322178

COc1ccc(COC2CCc3ccc(C(O)CCC#C[Si](C)(C)C)cc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
CYP26A1 O43174 2/20 0.35
GRIN2B Q13224 9/20 0.33
GRIN2D O15399 8/20 0.33
GRIN3B O60391 8/20 0.33
GRIN1 Q05586 8/20 0.33
GRIN2A Q12879 8/20 0.33
GRIN2C Q14957 8/20 0.33
GRIN3A Q8TCU5 8/20 0.33
KCNH2 Q12809 1/20 0.32
NAAA Q02083 1/20 0.32
CYP24A1 Q07973 1/20 0.32
DRD3 P35462 2/20 0.32
DRD2 P14416 1/20 0.32
CYP19A1 P11511 2/20 0.31
MTNR1A P48039 1/20 0.31

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
SCHEMBL18321978 0.89 BRD4 (0.38) BRD4CYP26A1NAAACYP24A1DRD3
SCHEMBL20952649 0.87 CYP26A1 (0.37) BRD4CYP26A1GRIN2BGRIN2DGRIN3B
SCHEMBL20241193 0.85 BRD4 (0.35) BRD4CYP26A1CYP24A1MTNR1A
SCHEMBL18322028 0.81 BRD4 (0.38) BRD4CYP26A1MTNR1A
SCHEMBL20952680 0.76 BRD4 (0.34) BRD4CYP26A1NAAACYP24A1DRD3
SCHEMBL18325712 0.74 CA1 (0.36) GRIN2B
SCHEMBL18322555 0.73 DHODH (0.36) GRIN2B
SCHEMBL28620218 0.73 CYP26A1 (0.43) BRD4CYP26A1CYP24A1DRD3DRD2
SCHEMBL20952602 0.71 NQO1 (0.37) BRD4GRIN2BGRIN2DGRIN3BGRIN1
SCHEMBL18322098 0.71 NAAA (0.36) NAAAMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3766878-B1 NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2022-03-16 EP disclosed
CN-108137557-B Nrf2 modulators 葛兰素史密斯克莱知识产权发展有限公司 2021-09-07 CN disclosed
EP-3766878-A1 NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2021-01-20 EP disclosed
EP-3307729-B1 NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-09-02 EP disclosed
US-20190224212-A1 Nrf2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2019-07-25 US disclosed
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
US-10272095-B2 NRF2 regulators GlaxoSmithKline Intellectual Propert Development Limited (GB) 2019-04-30 US disclosed
US-20180169110-A1 Nrf2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2018-06-21 US disclosed
WO-2018104766-A1 3-(2,3-DIHYDRO-1H-INDEN-5-YL)PROPANOIC ACID DERIVATIVES AND THEIR USE AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-14 WO disclosed
EP-3307729-A1 NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-04-18 EP disclosed
WO-2016203401-A1 NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-12-22 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 (3 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 BRD4 727/4885CYP26A1 1198/4885GRIN2B 3210/4885
US-20190224212-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 BRD4 727/4885CYP26A1 1198/4885GRIN2B 3210/4885
US-20180169110-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 BRD4 727/4885CYP26A1 1198/4885GRIN2B 3210/4885

“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.