SCHEMBL4888035

SCHEMBL4888035

O=C1CCCc2cc(-c3ccc(C(F)(F)F)cc3)ccc2N1

nearest known ligand 0.86

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 12/20 0.86
TDP2 O95551 1/20 0.55
PDE3B Q13370 2/20 0.49
PDE3A Q14432 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP11B1 P15538 2/20 0.49
CYP11B2 P19099 2/20 0.49
CYP2C9 P11712 1/20 0.49
TBXAS1 P24557 1/20 0.49
GSK3B P49841 1/20 0.48
MAPT P10636 1/20 0.47
AKT1 P31749 1/20 0.46
PKM P14618 1/20 0.46
PKLR P30613 1/20 0.46

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
SCHEMBL4888861 0.97 KIF11 (0.86) KIF11TDP2PDE3BPDE3ACYP1A2
SCHEMBL1396616 0.93 KIF11 (1.00) KIF11TDP2PDE3BPDE3ACYP1A2
SCHEMBL9024780 0.88 KIF11 (0.67) KIF11TDP2MAPTPKMPKLR
SCHEMBL1903306 0.85 KIF11 (0.80) KIF11TDP2PDE3BPDE3ACYP1A2
SCHEMBL4596463 0.82 KIF11 (0.59) KIF11PDE3BPDE3ACYP1A2CYP11B1
SCHEMBL3315694 0.82 KIF11 (0.79) KIF11PDE3BPDE3ACYP1A2CYP11B1
SCHEMBL4596644 0.82 KIF11 (0.70) KIF11TDP2PDE3BPDE3ACYP1A2
SCHEMBL4897585 0.81 KIF11 (0.58) KIF11PDE3BPDE3ACYP1A2CYP11B1
SCHEMBL3307653 0.81 KIF11 (0.78) KIF11TDP2AKT1
SCHEMBL4898372 0.80 KIF11 (0.72) KIF11TDP2PDE3BPDE3ACYP1A2

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-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

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 1033/4885PDE3B 2947/4885

“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.