SCHEMBL18321972

SCHEMBL18321972

COC(=O)C(C)(C)C(CC(=O)O)c1ccc2c(c1)C(OCc1ccc(OC)cc1)CC2

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.40
MTNR1A P48039 5/20 0.37
NQO2 P16083 4/20 0.37
MTNR1B P49286 4/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 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
SCHEMBL18321950 0.93 CACNA1B (0.37) MTNR1ANQO2MTNR1B
SCHEMBL18321982 0.93 FFAR1 (0.41) FFAR1ITGB3ITGA2BKMT2AATM
SCHEMBL18321967 0.89 MTNR1A (0.37) MTNR1ANQO2MTNR1B
SCHEMBL18322065 0.88 MTNR1A (0.36) MTNR1ANQO2MTNR1B
SCHEMBL18322184 0.87 CACNA1B (0.35) FFAR1MTNR1ANQO2MTNR1B
SCHEMBL18322098 0.86 NAAA (0.36) MTNR1ANQO2MTNR1B
SCHEMBL18322093 0.85 KCNA5 (0.35) MTNR1ANQO2MTNR1B
SCHEMBL18322167 0.81 NQO1 (0.32) MTNR1ANQO2MTNR1B
SCHEMBL18322207 0.81 GCGR (0.34) MTNR1ANQO2MTNR1B
SCHEMBL18322132 0.81 NQO1 (0.50) MTNR1ANQO2MTNR1B

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 FFAR1 823/4885MTNR1A 46/4885NQO2 357/4885
US-20190224212-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 FFAR1 823/4885MTNR1A 46/4885NQO2 357/4885
US-20180169110-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 FFAR1 823/4885MTNR1A 46/4885NQO2 357/4885

“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.