SCHEMBL10098080

SCHEMBL10098080

CC12CCC(OCc3ccc(O)cc3)(CC1)C(F)=C2F

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.35
ESR1 P03372 7/20 0.33
ESR2 Q92731 5/20 0.33
TAAR1 Q96RJ0 3/20 0.33
SLC6A2 P23975 1/20 0.33
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL10097094 0.88 AGXT (0.38) KMT2A
SCHEMBL10098097 0.83 IDO1 (0.36) IDO1ESR1ESR2TAAR1KMT2A
SCHEMBL10098319 0.80 ESR1 (0.36) IDO1ESR1ESR2
SCHEMBL10098105 0.77
SCHEMBL10098194 0.74 AGXT (0.37) KMT2A
SCHEMBL10098273 0.74 IDO1 (0.34) IDO1ESR1ESR2KMT2AMEN1
SCHEMBL10097088 0.72
SCHEMBL10097091 0.71 RORC (0.34) IDO1
SCHEMBL10097122 0.70 AGXT (0.36)
SCHEMBL1846696 0.69 IDO1 (0.42) IDO1ESR1ESR2SLC6A2KMT2A

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 1484/4885ESR1 2891/4885ESR2 556/4885

“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.