SCHEMBL10096887

SCHEMBL10096887

[C-]#[N+]c1c(OCC(F)(F)F)ccc(OC(=O)C23CCC(C)(CC2)C(F)(F)C3(F)F)c1C#N

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.33
HNF4A P41235 1/20 0.33
CACNA1H O95180 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL10096821 0.84 RXRA (0.32) RXRAHNF4ACACNA1HALDH1A1
SCHEMBL10097109 0.80 RXRA (0.32) RXRAHNF4ACACNA1HALDH1A1
SCHEMBL10097038 0.79 RXRA (0.32) RXRAHNF4ACACNA1HALDH1A1
SCHEMBL10096889 0.67
SCHEMBL10096888 0.67
SCHEMBL10096890 0.67
SCHEMBL10096873 0.66 HPGD (0.31)
SCHEMBL13340572 0.60 GAA (0.39)
SCHEMBL10098005 0.59
SCHEMBL10096820 0.59

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 RXRA 1146/4885HNF4A 835/4885CACNA1H 2439/4885

“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.