SCHEMBL10098253

SCHEMBL10098253

Oc1ccc(COC23CCC(O)(CC2)C(F)(F)C3(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.37
ESR2 Q92731 4/20 0.33
ESR1 P03372 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
APP P05067 1/20 0.32
ABAT P80404 1/20 0.31
CA2 P00918 1/20 0.31
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
PTGS1 P23219 1/20 0.30
SLC6A2 P23975 1/20 0.30
CYP2C19 P33261 1/20 0.30
PTGS2 P35354 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HIF1A Q16665 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL10098290 0.87 AGXT (0.38) CA2
SCHEMBL10098045 0.84 IDO1 (0.35) IDO1ESR2ESR1MEN1KMT2A
SCHEMBL10098121 0.73
SCHEMBL10098056 0.72 IDO1 (0.33) IDO1ESR2CA2
SCHEMBL10096874 0.71 AGXT (0.38) CA2
SCHEMBL10096903 0.69 AGXT (0.36) CA2
SCHEMBL10098097 0.66 IDO1 (0.36) IDO1ESR2ESR1MEN1KMT2A
SCHEMBL10098323 0.65 IDO1 (0.35) IDO1ESR2ESR1MEN1KMT2A
SCHEMBL1846696 0.65 IDO1 (0.42) IDO1ESR2ESR1MEN1KMT2A
SCHEMBL1837160 0.63 ESR1 (0.42) IDO1ESR2ESR1MEN1KMT2A

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-8124196-B2 Fluorobicyclo[2.2.2]octane compound, method of producing the same, and applications thereof FUJIFILM CORPORATION (JP) 2012-02-28 US disclosed
US-20100231844-A1 FLUOROBICYCLO[2.2.2]OCTANE COMPOUND, METHOD OF PRODUCING THE SAME, AND APPLICATIONS THEREOF FUJIFILM CORPORATION (JP) 2010-09-16 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-20100231844-A1 FLUOROBICYCLO[2.2.2]OCTANE COMPOUND, METHOD OF PRODUCING THE SAME, AND APPLICATIONS THEREOF AFF2, FPR2, SLCO1A2 IDO1 1484/4885ESR2 556/4885ESR1 2891/4885

“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.