SCHEMBL18322679

SCHEMBL18322679

OCCC1CCCOCC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.37
GBA1 P04062 2/20 0.36
ALDH1A1 P00352 2/20 0.34
DAO P14920 1/20 0.32
HPGD P15428 1/20 0.31
KDM1A O60341 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
TP53 P04637 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
SCHEMBL766842 0.91
SCHEMBL2197027 0.82
SCHEMBL5378435 0.81
SCHEMBL28224591 0.77 CYP1A2 (0.43) ALDH1A1DAOHPGDKDM1AMAOA
SCHEMBL21305354 0.77 SIGMAR1 (0.40) ALDH1A1DAOKDM1AMAOAMAOB
SCHEMBL9559079 0.77 ESR2 (0.50) ESR2GBA1HPGD
SCHEMBL79061 0.77
SCHEMBL80485 0.77
SCHEMBL968476 0.76 GBA1 (0.38) GBA1DAOHPGDKDM1AMAOA
SCHEMBL766836 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3782996-B1 NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2024-04-10 EP disclosed
US-20230047296-A1 Nrf2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-02-16 US disclosed
CN-108112251-B NRF2 modulators 葛兰素史克知识产权发展有限公司 2021-03-05 CN disclosed
EP-3782996-A1 NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2021-02-24 EP disclosed
EP-3307739-B1 NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-10-07 EP disclosed
US-10604509-B2 Nrf2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-03-31 US disclosed
US-20200079759-A1 Nrf2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2020-03-12 US disclosed
US-20180179187-A1 Nrf2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2018-06-28 US disclosed
US-20180179187-A1 Nrf2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2018-06-28 US disclosed
EP-3307739-A1 NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-04-18 EP disclosed
WO-2016202253-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 (4 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-20180179187-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 ESR2 76/4885GBA1 3986/4885ALDH1A1 609/4885
US-10604509-B2 Nrf2 regulators NFE2L2, KEAP1, NQO1 ESR2 76/4885GBA1 3986/4885ALDH1A1 609/4885
US-20230047296-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 ESR2 67/4885GBA1 3888/4885ALDH1A1 621/4885
US-20200079759-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 ESR2 67/4885GBA1 3888/4885ALDH1A1 621/4885

“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.