SCHEMBL6806044

SCHEMBL6806044

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)cc1)C(C)(C)SCc1ccc(OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 1/20 0.49
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL6806409 0.97 TUBB1 (0.48) TUBB1PPARGPPARA
SCHEMBL6803968 0.92 TUBB1 (0.60) TUBB1PPARGPPARA
SCHEMBL6804778 0.92 TUBB1 (0.52) TUBB1
SCHEMBL6803333 0.91 TUBB1 (0.59) TUBB1
SCHEMBL6810275 0.89 TUBB1 (0.56) TUBB1PPARGPPARA
SCHEMBL6807317 0.88 TUBB1 (0.56) TUBB1
SCHEMBL6673511 0.87 TUBB1 (0.44) TUBB1PPARGPPARA
SCHEMBL6673533 0.85 TUBB1 (0.62) TUBB1
SCHEMBL29511164 0.84 TUBB1 (0.49) TUBB1
SCHEMBL22069860 0.82 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 199/4885PPARG 2118/4885PPARA 1366/4885

“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.