SCHEMBL4596892

SCHEMBL4596892

O=C1Nc2ccc(-c3cc(F)c(C(F)(F)F)c(F)c3)cc2CC1O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.42
TDP2 O95551 2/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B1 P14061 1/20 0.32
PGR P06401 4/20 0.32
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
CTSK P43235 1/20 0.31
CTSC P53634 1/20 0.31
AR P10275 1/20 0.31
ANPEP P15144 1/20 0.30
CYP1A2 P05177 1/20 0.30
OTUD7B Q6GQQ9 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
SCHEMBL4596404 0.89 KIF11 (0.44) KIF11CYP11B1CYP11B2
SCHEMBL4596144 0.84 KIF11 (0.60) KIF11TDP2PDE3BPDE3AKMT2A
SCHEMBL4596866 0.78 KIF11 (0.40) KIF11TDP2ALOX5APFEN1PDE3B
SCHEMBL4897861 0.76 KIF11 (0.72) KIF11PDE3BPDE3ACYP11B1CYP11B2
SCHEMBL4596884 0.73 KIF11 (0.59) KIF11TDP2PDE3BPDE3ACYP11B1
SCHEMBL4596504 0.71 KIF11 (0.61) KIF11TDP2PDE3BPDE3ACYP11B1
SCHEMBL3466924 0.71 KIF11 (0.41) KIF11CYP11B1CYP11B2
SCHEMBL4596331 0.70 BRD4 (0.47) TDP2
SCHEMBL4891219 0.68 KIF11 (0.56) KIF11TDP2PDE3BPDE3AKMT2A
SCHEMBL4594888 0.68 KIF11 (0.56) KIF11TDP2PDE3BPDE3AKMT2A

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 562/4885TDP2 1033/4885ALOX5AP 1779/4885

“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.