SCHEMBL10097155

SCHEMBL10097155

CC12CCC(OC(=O)c3ccccc3)(C=C1F)CC2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.40
GAA P10253 1/20 0.38
LMNA P02545 4/20 0.38
F2 P00734 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL10097189 0.75 TSHR (0.41) TSHRGAALMNAF2KMT2A
SCHEMBL16861396 0.72 TSHR (0.52) TSHRGAALMNAF2KMT2A
SCHEMBL13561708 0.69 TSHR (0.48) TSHRGAALMNAF2KMT2A
SCHEMBL29941836 0.69 TSHR (0.48) TSHRGAALMNAF2KMT2A
SCHEMBL13564220 0.68 TSHR (0.47) TSHRGAALMNAF2KMT2A
SCHEMBL1784677 0.67 TSHR (0.54) TSHRGAALMNAF2KMT2A
SCHEMBL10096967 0.66 GAA (0.42) TSHRGAALMNAF2KMT2A
SCHEMBL27481781 0.65 TSHR (0.52) TSHRGAALMNAF2KMT2A
SCHEMBL29277479 0.65 LMNA (0.50) TSHRGAALMNAF2KMT2A
SCHEMBL28344125 0.65 TSHR (0.47) TSHRGAALMNAF2KMT2A

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.