SCHEMBL10098101

SCHEMBL10098101

CC12CCC(COc3ccc(O)cc3)(CC1)C(F)=C2F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.38
NR5A1 Q13285 1/20 0.36
LMNA P02545 2/20 0.34
PTGS1 P23219 2/20 0.34
SLC6A2 P23975 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
PTGS2 P35354 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HIF1A Q16665 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ESR1 P03372 2/20 0.33
CYP19A1 P11511 2/20 0.33
ESR2 Q92731 2/20 0.33
APP P05067 2/20 0.33
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
MAPT P10636 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32

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
SCHEMBL10097089 0.86 DRD2 (0.36)
SCHEMBL10097103 0.82 DRD2 (0.40) LTA4HSLC6A2SLC6A3
SCHEMBL10097104 0.80 SLC6A4 (0.36) SLC6A3
SCHEMBL10097971 0.75
SCHEMBL10098333 0.75 LTA4H (0.37) LTA4HNR5A1LMNAPTGS1SLC6A2
SCHEMBL10098186 0.71
SCHEMBL10097077 0.71
SCHEMBL10098080 0.68 IDO1 (0.35) SLC6A2ESR1ESR2KMT2A
SCHEMBL10098047 0.67 LTA4H (0.38) LTA4HNR5A1LMNAPTGS1SLC6A2
SCHEMBL9322641 0.66 LTA4H (0.43) LTA4HNR5A1LMNAPTGS1SLC6A2

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 LTA4H 3076/4885NR5A1 1462/4885LMNA 2238/4885

“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.