SCHEMBL6890969

SCHEMBL6890969

CC(C)(C)OC(=O)NCCCCC(CCCNC(=O)OC(C)(C)C)(NC(=O)OC(C)(C)C)C(CCCCCCCS(=O)(=O)O)CN(CCCC(N)(CCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
CA1 P00915 6/20 0.32
CA2 P00918 6/20 0.32
CA12 O43570 3/20 0.32
CA9 Q16790 3/20 0.32
CA14 Q9ULX7 1/20 0.32
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ATM Q13315 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
SCHEMBL6889560 0.85 CA14 (0.37) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL7260637 0.78 TDP1 (0.44) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL7265960 0.77 MEN1 (0.33) TDP1MEN1KMT2AGAACA1
SCHEMBL3288385 0.75 TDP1 (0.49) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL3290847 0.75 CA14 (0.39) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL3287423 0.74 CA1 (0.37) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL6889562 0.72 TDP1 (0.39) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL3289724 0.71 TDP1 (0.44) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL3290477 0.71 CA1 (0.33) TDP1MEN1KMT2AGAACA1
SCHEMBL3293183 0.70 CA14 (0.35) TDP1MAOAMAOBMEN1KMT2A

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-20040024220-A1 Lipids CELLTECH R & D LIMITED 2004-02-05 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-20040024220-A1 Lipids PHOSPHO1, FABP7, MBOAT7 TDP1 1253/4885MAOA 3200/4885MAOB 2764/4885

“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.