SCHEMBL5565693

SCHEMBL5565693

CCCOc1ccc(C(=O)O[C@H](CCO)Cc2ccc(-c3cn(C)c(C(C)(C)C)n3)cc2)cc1C#N

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 1/20 0.41
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
S1PR1 P21453 1/20 0.36
XDH P47989 4/20 0.36

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
SCHEMBL5565695 0.89 CENPE (0.52) CENPES1PR1XDH
SCHEMBL5565688 0.89 CENPE (0.52) CENPES1PR1XDH
SCHEMBL5565634 0.89 GCGR (0.37) ALDH1A1S1PR1
SCHEMBL13456913 0.87 CENPE (0.56) CENPEALDH1A1HPGDS1PR1XDH
SCHEMBL13184025 0.82 CENPE (0.40) CENPEALDH1A1HPGDS1PR1
SCHEMBL5565637 0.79 CENPE (0.39) CENPES1PR1
SCHEMBL5565628 0.79 CENPE (0.39) CENPES1PR1
SCHEMBL14421684 0.77 CENPE (0.51) CENPES1PR1XDH
SCHEMBL3462817 0.76 CENPE (0.69) CENPES1PR1XDH
SCHEMBL13161584 0.76 CENPE (0.69) CENPES1PR1XDH

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070219192-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-09-20 US claimed
US-20070219192-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-09-20 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-20070219192-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885ALDH1A1 2159/4885HPGD 2681/4885

“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.