SCHEMBL30258583

SCHEMBL30258583

CC(C)(C)OC(=O)N1CCc2cccc(OCCCC(=O)OCc3ccccc3)c2[C@H]1CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.41
KEAP1 Q14145 12/20 0.40
GHSR Q92847 4/20 0.39
NFE2L2 Q16236 4/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL30256409 1.00 PARP1 (0.43) PARP1PTGDR2KEAP1GHSRNFE2L2
SCHEMBL23930760 0.90 PARP1 (0.45) PARP1PTGDR2KEAP1NFE2L2ATM
SCHEMBL30256353 0.90 KEAP1 (0.44) PARP1PTGDR2KEAP1NFE2L2ATM
SCHEMBL25264776 0.90 KEAP1 (0.44) PARP1PTGDR2KEAP1NFE2L2ATM
SCHEMBL25187459 0.90 KEAP1 (0.44) PARP1PTGDR2KEAP1NFE2L2ATM
SCHEMBL23959356 0.86 KEAP1 (0.41) KEAP1NFE2L2ATML3MBTL1ALDH1A1
SCHEMBL30256146 0.86 KEAP1 (0.41) KEAP1NFE2L2ATML3MBTL1ALDH1A1
SCHEMBL25555241 0.86 KEAP1 (0.41) KEAP1NFE2L2ATML3MBTL1ALDH1A1
SCHEMBL30533745 0.84 KEAP1 (0.44) KEAP1NFE2L2ATML3MBTL1ALDH1A1
SCHEMBL24174323 0.84 KEAP1 (0.41) PARP1KEAP1GHSRNFE2L2ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4139295-B1 ISOQUINILINE NRF2 AGONISTS C4X DISCOVERY LTD (GB) 2025-04-09 EP disclosed
US-20230159511-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS C4X DISCOVERY LIMITED (GB) 2023-05-25 US disclosed
EP-4139295-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS C4x Discovery Limited (GB) 2023-03-01 EP 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 (1 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-20230159511-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS NFE2L2, KEAP1, NQO1 PARP1 950/4885PTGDR2 1644/4885KEAP1 2/4885

“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.