SCHEMBL18322124

SCHEMBL18322124

COc1ccc(COC2CCc3ccc(C=O)cc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 1/20 0.43
CYP2A6 P11509 1/20 0.43
BRD4 O60885 1/20 0.41
CYP26A1 O43174 2/20 0.39
CYP24A1 Q07973 1/20 0.39
MTNR1A P48039 5/20 0.39
HPGD P15428 1/20 0.39
NQO2 P16083 4/20 0.37
MTNR1B P49286 4/20 0.37
PTGER4 P35408 1/20 0.36
KCNH2 Q12809 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL18322201 0.84 THRB (0.50) ALDH1A1BRD4CYP26A1CYP24A1HPGD
SCHEMBL28615795 0.84 THRB (0.50) ALDH1A1BRD4CYP26A1CYP24A1HPGD
SCHEMBL18322205 0.83 NR1H4 (0.47) RAB9AMTNR1AHPGDNQO2MTNR1B
SCHEMBL20241344 0.83 NR1H4 (0.47) RAB9AMTNR1AHPGDNQO2MTNR1B
SCHEMBL20241215 0.81 BRD4 (0.43) NPC1RAB9ABRD4CYP26A1CYP24A1
SCHEMBL28620218 0.81 CYP26A1 (0.43) ALDH1A1BRD4CYP26A1CYP24A1MTNR1A
SCHEMBL29405817 0.79 APP (0.45) RAB9ATDP1ALDH1A1HPGD
SCHEMBL28619079 0.79 APP (0.45) RAB9ATDP1ALDH1A1HPGD
SCHEMBL5206057 0.75 MAOB (0.42) NPC1RAB9ABRD4CYP26A1CYP24A1
SCHEMBL31377731 0.72 GRM2 (0.36) BRD4DRD3

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 15 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
EP-3555082-B1 ETHER LINKED TRIAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2022-01-26 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-3555068-B1 3-OXO-1,4-DIAZEPINYLE COMPOUNDS AS NRF2 ACTIVATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-12-02 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-2018109648-A1 3-OXO-1,4-DIAZEPINYLE COMPOUNDS AS NRF2 ACTIVATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-21 WO 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 NPC1 316/4885RAB9A 2711/4885TDP1 4360/4885
US-20190224212-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 NPC1 316/4885RAB9A 2711/4885TDP1 4360/4885
US-20180169110-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 NPC1 316/4885RAB9A 2711/4885TDP1 4360/4885

“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.