SCHEMBL6799542

SCHEMBL6799542

CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](NC)C(C)(C)c1cccc(Br)c1)C(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.57
CYP19A1 P11511 1/20 0.31
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
ADAM17 P78536 2/20 0.31
GAA P10253 1/20 0.30
ALOX12 P18054 1/20 0.30
ATM Q13315 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL6805837 1.00 TUBB1 (0.57) TUBB1CYP19A1MAPTALDH1A1POLB
SCHEMBL6671669 0.93 TUBB1 (0.59) TUBB1MAPTALDH1A1GAAALOX12
SCHEMBL6670790 0.93 TUBB1 (0.59) TUBB1MAPTALDH1A1GAAALOX12
SCHEMBL6810329 0.93 TUBB1 (0.58) TUBB1MAPTALDH1A1GAAALOX12
SCHEMBL6810332 0.93 TUBB1 (0.58) TUBB1MAPTALDH1A1GAAALOX12
SCHEMBL6671667 0.91 TUBB1 (0.59) TUBB1MAPTALDH1A1GAAALOX12
SCHEMBL17992665 0.91 TUBB1 (0.57) TUBB1MAPTGAAALOX12ATM
SCHEMBL6799864 0.91 TUBB1 (0.57) TUBB1MAPTALDH1A1POLBGAA
SCHEMBL29779859 0.91 TUBB1 (0.57) TUBB1MAPTGAAALOX12ATM
SCHEMBL28964304 0.91 TUBB1 (0.57) TUBB1MAPTGAAALOX12ATM

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 199/4885CYP19A1 401/4885MAPT 4461/4885

“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.