SCHEMBL25566925

SCHEMBL25566925

COc1ccc(COC(=O)[C@H]2CCCC[C@@H](C(=O)O)C2)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
MAPK1 P28482 1/20 0.53
ALDH1A1 P00352 5/20 0.51
POLB P06746 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
KMT2A Q03164 7/20 0.50
MEN1 O00255 5/20 0.50
NPSR1 Q6W5P4 1/20 0.44
ALOX15 P16050 1/20 0.43
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
FKBP1A P62942 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
SCHEMBL23961118 1.00 TSHR (0.53) TSHRMAPK1ALDH1A1POLBTDP1
SCHEMBL30261137 0.89 ALDH1A1 (0.59) TSHRMAPK1ALDH1A1POLBTDP1
SCHEMBL23959329 0.86 KMT2A (0.54) TSHRMAPK1ALDH1A1POLBTDP1
SCHEMBL23961091 0.86 KMT2A (0.54) TSHRMAPK1ALDH1A1POLBTDP1
SCHEMBL1766751 0.83 KMT2A (0.51) TSHRMAPK1ALDH1A1POLBTDP1
SCHEMBL1766747 0.83 KMT2A (0.51) TSHRMAPK1ALDH1A1POLBTDP1
SCHEMBL23961047 0.83 KMT2A (0.51) TSHRMAPK1ALDH1A1POLBTDP1
SCHEMBL12533279 0.83 KMT2A (0.51) TSHRMAPK1ALDH1A1POLBTDP1
SCHEMBL23930423 0.76 KMT2A (0.47) TSHRMAPK1ALDH1A1POLBTDP1
SCHEMBL23716892 0.75 KMT2A (0.48) TSHRMAPK1ALDH1A1POLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167084-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS C4X DISCOVERY LIMITED (GB) 2023-06-01 US 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-20230167084-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS NFE2L2, KEAP1, NQO1 TSHR 3995/4885MAPK1 958/4885ALDH1A1 773/4885

“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.