SCHEMBL23812201

SCHEMBL23812201

COC(=O)CCCCC1SCC2C1NC(=O)N2C(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.47
GAA P10253 1/20 0.42
KEAP1 Q14145 1/20 0.37
PPARG P37231 2/20 0.37
NR2E3 Q9Y5X4 2/20 0.37
NCOR2 Q9Y618 2/20 0.37
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
HPSE Q9Y251 1/20 0.36
MEN1 O00255 2/20 0.35
PKM P14618 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL16478559 1.00 TDP1 (0.47) TDP1GAAKEAP1PPARGNR2E3
SCHEMBL30331593 0.93 TDP1 (0.42) TDP1GAAKEAP1MAPTL3MBTL1
SCHEMBL21606765 0.93 TDP1 (0.42) TDP1GAAKEAP1MAPTL3MBTL1
SCHEMBL30205123 0.93 TDP1 (0.42) TDP1GAAKEAP1MAPTL3MBTL1
SCHEMBL16141184 0.88 HLCS (0.39) TDP1GAAKEAP1CA12CA1
SCHEMBL30929049 0.84 HSP90AB1 (0.43) KEAP1PKM
SCHEMBL30929050 0.84 HSP90AB1 (0.43) KEAP1PKM
SCHEMBL9971307 0.83 KEAP1 (0.40) TDP1KEAP1ALDH1A1
SCHEMBL30205084 0.82 KEAP1 (0.40) TDP1KEAP1ALDH1A1
SCHEMBL16478560 0.82 GAA (0.41) TDP1GAAPPARGNR2E3NCOR2

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-20210284668-A1 GOLD (I)-PHOSPHINE 1,2,3-TRIAZOLE DERIVATIVES WITH ANTIBIOTIC PROPERTIES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-09-16 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-20210284668-A1 GOLD (I)-PHOSPHINE 1,2,3-TRIAZOLE DERIVATIVES WITH ANTIBIOTIC PROPERTIES PADI3, PADI1, PADI4 TDP1 1758/4885GAA 2564/4885KEAP1 2594/4885

“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.