SCHEMBL25567604

SCHEMBL25567604

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.45
MEN1 O00255 6/20 0.45
TSHR P16473 4/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLA1 P09884 2/20 0.40
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CA2 P00918 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
SCHEMBL23930440 1.00 KMT2A (0.45) KMT2AMEN1TSHRMAPK1ALDH1A1
SCHEMBL23961084 1.00 KMT2A (0.45) KMT2AMEN1TSHRMAPK1ALDH1A1
SCHEMBL23930423 0.97 KMT2A (0.47) KMT2AMEN1TSHRMAPK1ALDH1A1
SCHEMBL24174659 0.83 KMT2A (0.46) KMT2AMEN1TSHRMAPK1ALDH1A1
SCHEMBL31181767 0.83 KMT2A (0.46) KMT2AMEN1TSHRMAPK1ALDH1A1
SCHEMBL24174962 0.82 KMT2A (0.45) KMT2AMEN1TSHRMAPK1ALDH1A1
SCHEMBL31011121 0.78 MEN1 (0.48) KMT2AMEN1TSHRMAPK1ALDH1A1
SCHEMBL30261153 0.77 MEN1 (0.44) KMT2AMEN1TSHRMAPK1ALDH1A1
SCHEMBL23961062 0.76 TSHR (0.36) KMT2AMEN1TSHRMAPK1ALDH1A1
SCHEMBL22167930 0.75 HSD17B10 (0.45) KMT2AMEN1TSHRALDH1A1POLB

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 KMT2A 1158/4885MEN1 4307/4885TSHR 3995/4885

“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.