SCHEMBL4596404

SCHEMBL4596404

O=C1Nc2ccc(-c3ccc(C(F)(F)F)c(F)c3)cc2CC1O

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 14/20 0.44
CYP11B2 P19099 6/20 0.42
CYP11B1 P15538 5/20 0.42

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
SCHEMBL4596892 0.89 KIF11 (0.42) KIF11CYP11B2CYP11B1
SCHEMBL4596144 0.83 KIF11 (0.60) KIF11
SCHEMBL3466924 0.82 KIF11 (0.41) KIF11CYP11B2CYP11B1
SCHEMBL3466892 0.78 CYP11B1 (0.42) KIF11CYP11B2CYP11B1
SCHEMBL4596866 0.77 KIF11 (0.40) KIF11CYP11B2CYP11B1
SCHEMBL3310186 0.76 KIF11 (0.70) KIF11CYP11B2CYP11B1
SCHEMBL4596504 0.74 KIF11 (0.61) KIF11CYP11B2CYP11B1
SCHEMBL4596463 0.74 KIF11 (0.59) KIF11CYP11B2CYP11B1
SCHEMBL4596884 0.72 KIF11 (0.59) KIF11CYP11B2CYP11B1
SCHEMBL4595996 0.70 KIF11 (0.47) KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US claimed
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US disclosed
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US disclosed
EP-1874753-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
WO-2006113432-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 WO 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-20080176830-A1 Compounds, Compositions, and Methods ALPP, PCNA, MKI67 KIF11 562/4885CYP11B2 1046/4885CYP11B1 780/4885

“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.