SCHEMBL6889555

SCHEMBL6889555

CCCCN(C(=O)OC(C)(C)C)C(NC(=O)OC(C)(C)C)C(CCCCCCCS(=O)(=O)O)CN(CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GAA P10253 1/20 0.34
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CA1 P00915 5/20 0.32
CA2 P00918 5/20 0.32
EPHX2 P34913 1/20 0.32
ATM Q13315 1/20 0.32
CTSK P43235 4/20 0.32
CA12 O43570 2/20 0.32
CA9 Q16790 2/20 0.32
CTSS P25774 1/20 0.32
LMNA P02545 1/20 0.31
TSHR P16473 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
SCHEMBL3288380 0.91 TDP1 (0.46) CA14TDP1MEN1KMT2AGAA
SCHEMBL3290841 0.90 CA14 (0.36) CA14TDP1MEN1KMT2AGAA
SCHEMBL3287420 0.89 CA1 (0.34) CA14TDP1MEN1KMT2AGAA
SCHEMBL6889562 0.85 TDP1 (0.39) CA14TDP1MEN1KMT2AGAA
SCHEMBL3293178 0.85 DRD2 (0.35) CA14TDP1MEN1KMT2AGAA
SCHEMBL3288125 0.81 CAPN1 (0.35) CA14
SCHEMBL3295787 0.81 CAPN1 (0.35) CA14
SCHEMBL3294310 0.81 CAPN1 (0.35) CA14
SCHEMBL4523800 0.79 CAPN1 (0.36)
SCHEMBL7747687 0.77 MAOA (0.41) TDP1MEN1KMT2AGAAPOLB

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 CA14 1988/4885TDP1 1253/4885MEN1 1304/4885

“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.