SCHEMBL10097103

SCHEMBL10097103

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

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.40
MAOB P27338 6/20 0.37
PPARD Q03181 1/20 0.36
LTA4H P09960 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SLC6A3 Q01959 3/20 0.35
SLC6A4 P31645 2/20 0.35
AOC3 Q16853 1/20 0.35
SLC6A2 P23975 1/20 0.35

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 0.84 DRD2 (0.36) DRD2ALDH1A1
SCHEMBL10097104 0.83 SLC6A4 (0.36) SLC6A3SLC6A4
SCHEMBL10097037 0.76 DRD2 (0.39) DRD2MAOBPPARDLTA4HALDH1A1
SCHEMBL12083017 0.71 PPARD (0.47) DRD2MAOBPPARDLTA4HALDH1A1
SCHEMBL10097077 0.69
SCHEMBL10096892 0.69 DRD2 (0.40) DRD2MAOBPPARDLTA4HALDH1A1
SCHEMBL11742464 0.68 MAOB (0.40) DRD2MAOBPPARDLTA4H
SCHEMBL2114367 0.68 MAOB (0.40) DRD2MAOBPPARDLTA4HALDH1A1
SCHEMBL10096825 0.66 DRD2 (0.38) DRD2MAOBPPARDLTA4HALDH1A1
SCHEMBL8237725 0.65 NQO1 (0.64) MAOBLTA4HALDH1A1AOC3

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 DRD2 1385/4885MAOB 271/4885PPARD 3229/4885

“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.