SCHEMBL10097026

SCHEMBL10097026

Cc1ccc(OCC23C=C(F)C(C)(CC2)CC3)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
ALDH1A1 P00352 3/20 0.34
WDR5 P61964 1/20 0.33
KCNH2 Q12809 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL10098333 0.88 LTA4H (0.37)
SCHEMBL10097037 0.85 DRD2 (0.39) DRD2ALDH1A1
SCHEMBL10097046 0.83 KCNH2 (0.30) KCNH2
SCHEMBL10097089 0.75 DRD2 (0.36) DRD2DRD4DRD3ALDH1A1WDR5
SCHEMBL13724052 0.72 HPGD (0.43) DRD2DRD4DRD3ALDH1A1WDR5
SCHEMBL9440408 0.68 HPGD (0.54) DRD2DRD4DRD3ALDH1A1WDR5
SCHEMBL10097006 0.67
SCHEMBL4461068 0.67 DRD2 (0.40) DRD2DRD4DRD3ALDH1A1WDR5
SCHEMBL28201356 0.66 DRD2 (0.39) DRD2DRD4DRD3ALDH1A1WDR5
SCHEMBL10096876 0.66 DRD2 (0.33) DRD2DRD4DRD3ALDH1A1WDR5

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 4 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-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
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 1385/4885DRD4 2514/4885DRD3 2301/4885

“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.