SCHEMBL4901115

SCHEMBL4901115

O=C1CCc2cc(-c3ccc(C(F)(F)F)cc3)cc(C(=O)O)c2N1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.58
TDP2 O95551 2/20 0.47
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
RXRG P48443 1/20 0.41
CYP11B1 P15538 4/20 0.41
CYP11B2 P19099 4/20 0.41
CYP19A1 P11511 3/20 0.41
KDM1A O60341 1/20 0.40
DHODH Q02127 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
P2RY14 Q15391 1/20 0.38
ACLY P53396 1/20 0.38
CYP1A2 P05177 2/20 0.38
GLO1 Q04760 1/20 0.38
MEN1 O00255 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL4596603 0.97 KIF11 (0.55) KIF11TDP2RXRARXRBRXRG
SCHEMBL4893178 0.81 KIF11 (0.63) KIF11TDP2CYP11B1CYP11B2CYP19A1
SCHEMBL4899215 0.80 KIF11 (0.62) KIF11TDP2CYP11B1CYP11B2CYP19A1
SCHEMBL4595622 0.80 KIF11 (0.62) KIF11TDP2CYP11B1CYP11B2CYP19A1
SCHEMBL4596659 0.76 CYP11B1 (0.61) KIF11TDP2CYP11B1CYP11B2CYP19A1
SCHEMBL1396616 0.74 KIF11 (1.00) KIF11TDP2CYP11B1CYP11B2ALDH1A1
SCHEMBL4733773 0.73 MAPT (0.45) KIF11RXRARXRBRXRGKDM1A
SCHEMBL3307653 0.71 KIF11 (0.78) KIF11TDP2
SCHEMBL11161159 0.70 ALDH1A1 (0.49) KIF11RXRARXRBRXRGKDM1A
SCHEMBL4891646 0.69 KIF11 (0.62) KIF11TDP2CYP11B1CYP11B2CYP1A2

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 3 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

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 1033/4885RXRA 510/4885

“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.