SCHEMBL23959352

SCHEMBL23959352

COc1ccc(COC(=O)[C@@]2(C)CCCC[C@H]2C(=O)On2nnc3cccnc32)c(OC)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 2/20 0.35
THRB P10828 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
POLB P06746 3/20 0.34
MAPK1 P28482 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
F2 P00734 1/20 0.34
PDE4B Q07343 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RECQL P46063 1/20 0.34
HPGD P15428 1/20 0.34
PDE4D Q08499 2/20 0.33
LMNA P02545 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL23961111 1.00 TSHR (0.37) TSHRMEN1KMT2ATP53THRB
SCHEMBL23959350 0.98 TSHR (0.36) TSHRMEN1KMT2ATP53THRB
SCHEMBL23961062 0.98 TSHR (0.36) TSHRMEN1KMT2ATP53THRB
SCHEMBL23961061 0.86 LMNA (0.39) TP53THRBPOLBPDE4BPDE4D
SCHEMBL26375007 0.83 MEN1 (0.39) TSHRMEN1KMT2ATP53THRB
SCHEMBL23930423 0.77 KMT2A (0.47) TSHRMEN1KMT2AALDH1A1POLB
SCHEMBL23930440 0.74 KMT2A (0.45) TSHRMEN1KMT2AALDH1A1POLB
SCHEMBL23961084 0.74 KMT2A (0.45) TSHRMEN1KMT2AALDH1A1POLB
SCHEMBL25567604 0.74 KMT2A (0.45) TSHRMEN1KMT2AALDH1A1POLB
SCHEMBL24174030 0.67 FAAH (0.35) TSHRMEN1KMT2APDE4BSMN1; SMN2

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 18 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-4139295-B1 ISOQUINILINE NRF2 AGONISTS C4X DISCOVERY LTD (GB) 2025-04-09 EP disclosed
EP-4139294-B1 ISOQUINILINE NRF2 AGONISTS C4X DISCOVERY LTD (GB) 2025-04-09 EP disclosed
US-20250084075-A1 THERAPEUTIC COMPOUNDS C4X DISCOVERY LIMITED (GB) 2025-03-13 US 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-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-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-2021214472-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS C4X DISCOVERY LIMITED (GB) 2021-10-28 WO disclosed
WO-2021214470-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS C4X DISCOVERY LIMITED (GB) 2021-10-28 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 (5 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 TSHR 3995/4885MEN1 4307/4885KMT2A 1158/4885
US-20220002286-A1 THERAPEUTIC COMPOUNDS NFE2L2, KEAP1, NQO1 TSHR 4051/4885MEN1 4234/4885KMT2A 3198/4885
US-12098148-B2 Therapeutic compounds NFE2L2, KEAP1, NQO1 TSHR 4051/4885MEN1 4234/4885KMT2A 3198/4885
US-20230167084-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS NFE2L2, KEAP1, NQO1 TSHR 3995/4885MEN1 4307/4885KMT2A 1158/4885
US-20250084075-A1 THERAPEUTIC COMPOUNDS NFE2L2, KEAP1, NQO1 TSHR 4051/4885MEN1 4234/4885KMT2A 3198/4885

“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.