SCHEMBL18321978

SCHEMBL18321978

COc1ccc(COC2CCc3ccc(C(Br)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
NAAA Q02083 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
CYP26A1 O43174 2/20 0.31
TACR1 P25103 1/20 0.31
SIGMAR1 Q99720 2/20 0.31
CYP19A1 P11511 3/20 0.30
CYP11B1 P15538 1/20 0.30
CYP24A1 Q07973 1/20 0.30
KDM1A O60341 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 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
SCHEMBL18322178 0.89 BRD4 (0.38) BRD4NAAADRD2DRD3CYP26A1
SCHEMBL20952680 0.87 BRD4 (0.34) BRD4NAAADRD2DRD3CYP26A1
SCHEMBL20241193 0.83 BRD4 (0.35) BRD4CYP26A1CYP24A1
SCHEMBL18322028 0.79 BRD4 (0.38) BRD4CYP26A1
SCHEMBL20952649 0.76 CYP26A1 (0.37) BRD4NAAADRD3CYP26A1CYP24A1
SCHEMBL18322565 0.73 DHODH (0.36)
SCHEMBL28620218 0.73 CYP26A1 (0.43) BRD4DRD2DRD3CYP26A1CYP24A1
SCHEMBL20241215 0.73 BRD4 (0.43) BRD4NAAAPDE1BDRD2DRD3
SCHEMBL18322065 0.69 MTNR1A (0.36)
SCHEMBL18322098 0.69 NAAA (0.36) NAAA

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 10 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-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 727/4885NAAA 4691/4885PDE1A 4453/4885
US-20190224212-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 BRD4 727/4885NAAA 4691/4885PDE1A 4453/4885
US-20180169110-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 BRD4 727/4885NAAA 4691/4885PDE1A 4453/4885

“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.