SCHEMBL10097189

SCHEMBL10097189

CC12CCC(OC(=O)c3ccccc3)(CC1)C(F)=C2F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.41
GAA P10253 1/20 0.39
LMNA P02545 4/20 0.39
F2 P00734 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
CHRNA7 P36544 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CES2 O00748 2/20 0.34
CES1 P23141 2/20 0.34

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
SCHEMBL10097155 0.75 TSHR (0.40) TSHRGAALMNAF2TDP1
SCHEMBL16861396 0.73 TSHR (0.52) TSHRGAALMNAF2TDP1
SCHEMBL13561708 0.70 TSHR (0.48) TSHRGAALMNAF2TDP1
SCHEMBL29941836 0.70 TSHR (0.48) TSHRGAALMNAF2TDP1
SCHEMBL13564220 0.69 TSHR (0.47) TSHRGAALMNAF2TDP1
SCHEMBL10687586 0.69 LMNA (0.50) TSHRLMNAF2TDP1KMT2A
SCHEMBL27593585 0.68 LMNA (0.48) TSHRLMNAF2TDP1KMT2A
SCHEMBL1784677 0.68 TSHR (0.54) TSHRGAALMNAF2TDP1
SCHEMBL10096967 0.67 GAA (0.42) TSHRGAALMNAF2TDP1
SCHEMBL29277479 0.66 LMNA (0.50) TSHRGAALMNAF2TDP1

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 TSHR 1377/4885GAA 4645/4885LMNA 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.