SCHEMBL23959329

SCHEMBL23959329

COc1ccc(COC(=O)[C@H]2CCCC[C@H]2C(=O)O)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 3/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 3/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL23961091 1.00 KMT2A (0.54) KMT2AMEN1NPSR1ALDH1A1POLB
SCHEMBL23961047 0.98 KMT2A (0.51) KMT2AMEN1NPSR1ALDH1A1POLB
SCHEMBL1766751 0.98 KMT2A (0.51) KMT2AMEN1NPSR1ALDH1A1POLB
SCHEMBL12533279 0.98 KMT2A (0.51) KMT2AMEN1NPSR1ALDH1A1POLB
SCHEMBL1766747 0.98 KMT2A (0.51) KMT2AMEN1NPSR1ALDH1A1POLB
SCHEMBL23961118 0.86 TSHR (0.53) KMT2AMEN1NPSR1ALDH1A1POLB
SCHEMBL25566925 0.86 TSHR (0.53) KMT2AMEN1NPSR1ALDH1A1POLB
SCHEMBL30261137 0.84 ALDH1A1 (0.59) KMT2AMEN1ALDH1A1POLBTDP1
SCHEMBL26376274 0.81 CD274 (0.41) KMT2AMEN1NPSR1TSHRMAPK1
SCHEMBL24174960 0.79 KMT2A (0.48) KMT2AMEN1NPSR1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4252755-B1 THERAPEUTIC COMPOUNDS C4X DISCOVERY LTD (GB) 2025-05-14 EP disclosed
EP-4139294-B1 ISOQUINILINE NRF2 AGONISTS C4X DISCOVERY LTD (GB) 2025-04-09 EP disclosed
EP-4139295-B1 ISOQUINILINE NRF2 AGONISTS C4X DISCOVERY LTD (GB) 2025-04-09 EP disclosed
CN-119569706-A Therapeutic compounds 希四克斯探索有限公司 2025-03-07 CN disclosed
CN-115667243-B Tetrahydroisoquinoline compounds as NRF2 activators 希四克斯探索有限公司 2025-01-07 CN disclosed
CN-112996785-B Therapeutic compounds 希四克斯探索有限公司 2024-12-06 CN disclosed
US-12098148-B2 Therapeutic compounds C4X DISCOVERY LIMITED (GB) 2024-09-24 US disclosed
EP-4252755-A2 THERAPEUTIC COMPOUNDS C4x Discovery Limited (GB) 2023-10-04 EP disclosed
EP-3870578-B1 THERAPEUTIC COMPOUNDS C4X DISCOVERY LTD (GB) 2023-08-16 EP disclosed
EP-3870578-B1 THERAPEUTIC COMPOUNDS C4X DISCOVERY LTD (GB) 2023-08-16 EP disclosed
US-20230167084-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS C4X DISCOVERY LIMITED (GB) 2023-06-01 US disclosed
US-20230167084-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS C4X DISCOVERY LIMITED (GB) 2023-06-01 US disclosed
US-20230159511-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS C4X DISCOVERY LIMITED (GB) 2023-05-25 US disclosed
US-20230159511-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS C4X DISCOVERY LIMITED (GB) 2023-05-25 US disclosed
US-20230159511-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS C4X DISCOVERY LIMITED (GB) 2023-05-25 US disclosed
US-20220002286-A1 THERAPEUTIC COMPOUNDS C4X DISCOVERY LIMITED (GB) 2022-01-06 US disclosed
WO-2021214470-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS C4X DISCOVERY LIMITED (GB) 2021-10-28 WO disclosed
WO-2021214472-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS C4X DISCOVERY LIMITED (GB) 2021-10-28 WO disclosed
CN-112996785-A Therapeutic compounds 希四克斯探索有限公司 2021-06-18 CN 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-20230159511-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS NFE2L2, KEAP1, NQO1 KMT2A 1158/4885MEN1 4307/4885NPSR1 3673/4885
US-20220002286-A1 THERAPEUTIC COMPOUNDS NFE2L2, KEAP1, NQO1 KMT2A 3198/4885MEN1 4234/4885NPSR1 2304/4885
US-12098148-B2 Therapeutic compounds NFE2L2, KEAP1, NQO1 KMT2A 3198/4885MEN1 4234/4885NPSR1 2304/4885
US-20230167084-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS NFE2L2, KEAP1, NQO1 KMT2A 1158/4885MEN1 4307/4885NPSR1 3673/4885

“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.