SCHEMBL4893296

SCHEMBL4893296

O=C1CCc2cc(-c3ccc(C(F)(F)F)cc3)ccc2C1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 2/20 0.57
KIF11 P52732 8/20 0.55
CYP11B1 P15538 3/20 0.54
CYP11B2 P19099 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP2A6 P11509 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
ASIC3 Q9UHC3 1/20 0.42
PARP10 Q53GL7 2/20 0.40
PARP11 Q9NR21 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
PARP1 P09874 1/20 0.40
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL4970944 0.81 CYP1A2 (0.67) TDP2CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL4971962 0.79 CYP1A2 (0.56) TDP2CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL1479810 0.78 TDP2 (0.68) TDP2KIF11HRH3ASIC3PARP10
SCHEMBL4759930 0.78 FFAR1 (0.53)
SCHEMBL27042635 0.78 TDP2 (0.62) TDP2KIF11HRH3ASIC3PARP10
SCHEMBL4889104 0.76 TDP2 (0.47) TDP2KIF11HRH3ASIC3CHRNB2
SCHEMBL4889102 0.76 TDP2 (0.47) TDP2KIF11HRH3ASIC3CHRNB2
SCHEMBL4971011 0.75 CYP11B1 (0.70) TDP2CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL4972557 0.75 CYP1A2 (0.52) KIF11CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL24126858 0.75 CYP11B1 (0.56) TDP2KIF11CYP11B1CYP11B2CYP1A2

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 TDP2 1033/4885KIF11 562/4885CYP11B1 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.