SCHEMBL18321982

SCHEMBL18321982

COc1ccc(COC2CCc3ccc(C(CC(=O)O)C(C)(C)C(=O)O)cc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.41
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
CYP26A1 O43174 1/20 0.36
CYP24A1 Q07973 1/20 0.36
BRD4 O60885 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
SCHEMBL18321972 0.93 FFAR1 (0.40) FFAR1KMT2AATMITGB3ITGA2B
SCHEMBL18321950 0.85 CACNA1B (0.37)
SCHEMBL20241193 0.84 BRD4 (0.35) FFAR1CYP26A1CYP24A1BRD4
SCHEMBL18321967 0.81 MTNR1A (0.37)
SCHEMBL18322065 0.81 MTNR1A (0.36)
SCHEMBL18321974 0.80 NQO1 (0.55) BRD4
SCHEMBL18322184 0.80 CACNA1B (0.35) FFAR1BRD4
SCHEMBL18322098 0.79 NAAA (0.36)
SCHEMBL18322093 0.77 KCNA5 (0.35) CYP26A1CYP24A1
SCHEMBL18322069 0.77 BRD4 (0.36) FFAR1ATMBRD4

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 9 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-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 FFAR1 823/4885KMT2A 1751/4885ATM 2676/4885
US-20190224212-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 FFAR1 823/4885KMT2A 1751/4885ATM 2676/4885
US-20180169110-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 FFAR1 823/4885KMT2A 1751/4885ATM 2676/4885

“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.