SCHEMBL13933339

SCHEMBL13933339

CC(=O)Cc1ccc([Si]([19F])(C(C)(C)C)C(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
CYP2C19 P33261 1/20 0.41
GRIA2 P42262 1/20 0.41
CES1 P23141 1/20 0.35
KDM4E B2RXH2 1/20 0.35
RXRA P19793 4/20 0.33
RXRB P28702 4/20 0.33
RXRG P48443 4/20 0.33
HPGD P15428 1/20 0.33
HDAC4 P56524 2/20 0.32
AOC2 O75106 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31
PIK3CA P42336 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
PTPRZ1 P23471 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
SCHEMBL13933337 1.00 POLB (0.42) POLBCYP2C19GRIA2CES1KDM4E
SCHEMBL22823989 0.81 CYP1A2 (0.36) POLBCYP2C19CES1KDM4ERXRA
SCHEMBL22288462 0.77 PPARG (0.38)
SCHEMBL8403545 0.76 POLB (0.61) POLBCES1HPGD
SCHEMBL707762 0.76 NR1H2 (0.37)
SCHEMBL21101910 0.76 POLB (0.46) POLBCYP2C19GRIA2CES1KDM4E
SCHEMBL13933530 0.75 ALDH1A1 (0.61) POLBHDAC4L3MBTL1HDAC6HDAC1
SCHEMBL4071160 0.75 ALDH1A1 (0.61) POLBHDAC4L3MBTL1HDAC6HDAC1
SCHEMBL265118 0.73 PIK3CA (0.53) POLBCES1RXRARXRBRXRG
SCHEMBL22288627 0.72 HPGD (0.55) RXRARXRBRXRGHPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090035215-A1 RADIOFLUORINATION BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-05 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-20090035215-A1 RADIOFLUORINATION AFF2, AFF1, NUTF2 POLB 2590/4885CYP2C19 1427/4885GRIA2 763/4885

“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.