SCHEMBL6803073

SCHEMBL6803073

CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H](N(C)C(=O)OC(C)(C)C)C(C)(C)c1ccc(OC)cc1OC)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.49
AAK1 Q2M2I8 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30

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
SCHEMBL6806018 0.91 TUBB1 (0.46) TUBB1AAK1GAAMEN1KMT2A
SCHEMBL6805738 0.90 TUBB1 (0.60) TUBB1AAK1KDM4EALDH1A1
SCHEMBL6803333 0.89 TUBB1 (0.59) TUBB1
SCHEMBL6670282 0.88 TUBB1 (0.62) TUBB1KDM4EALDH1A1GAAHPGD
SCHEMBL6671660 0.86 TUBB1 (0.44) TUBB1GAA
SCHEMBL6675014 0.86 TUBB1 (0.44) TUBB1GAA
SCHEMBL29511164 0.84 TUBB1 (0.49) TUBB1
SCHEMBL22069860 0.84 TUBB1 (0.49) TUBB1
SCHEMBL58263 0.84 TUBB1 (0.49) TUBB1
SCHEMBL13660105 0.84 TUBB1 (0.49) TUBB1

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-20040121965-A1 Method of treating resistant tumors WYETH HOLDINGS CORPORATION (US) 2004-06-24 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-20040121965-A1 Method of treating resistant tumors SLC11A2, VHL, REN TUBB1 199/4885AAK1 4223/4885KDM4E 2744/4885

“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.