SCHEMBL706323

SCHEMBL706323

O=C1CCCCCCC1C1(O)CCCCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.42
CYP2C19 P33261 2/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
MCL1 Q07820 1/20 0.33
CA6 P23280 1/20 0.33
MET P08581 1/20 0.32
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 1/20 0.32
BRDT Q58F21 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPT P10636 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
SCHEMBL1238035 1.00 HTT (0.54) HTTKMT2ACYP2C19POLBCYP3A4
SCHEMBL11795248 1.00 HTT (0.54) HTTKMT2ACYP2C19POLBCYP3A4
SCHEMBL1237573 0.98 HTT (0.51) HTTKMT2ACYP2C19POLBCYP3A4
SCHEMBL1238230 0.94 HTT (0.47) HTTKMT2ACYP2C19POLBCYP3A4
SCHEMBL1237599 0.92 HTT (0.45) HTTKMT2ACYP2C19POLBCYP3A4
SCHEMBL3397059 0.83 HTT (0.38) HTTCYP2C19POLBCYP3A4LMNA
SCHEMBL706322 0.79 HTT (0.50) HTTKMT2ACYP2C19POLBCYP3A4
SCHEMBL11799503 0.79 HTT (0.50) HTTKMT2ACYP2C19POLBCYP3A4
SCHEMBL9998883 0.78 HTT (0.41) HTTKMT2ACYP2C19POLBCYP3A4
SCHEMBL11790640 0.76 HTT (0.50) HTTKMT2ACYP2C19POLBCYP3A4

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 HTT 4207/4885KMT2A 2986/4885CYP2C19 1115/4885

“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.