SCHEMBL4074913

SCHEMBL4074913

CC(C)[Si](F)(c1cccc(CCC(=O)NCc2ccccc2)c1)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ CYP3A4 P08684 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ TRPV1 Q8NER1 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ ERCC1 P07992 1/20 0.48
▸ ERCC4 Q92889 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ PTPN1 P18031 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ TSHR P16473 1/20 0.44

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
SCHEMBL13933508 1.00 ALDH1A1 (0.56) ALDH1A1L3MBTL1CYP3A4CYP2C19TRPV1
SCHEMBL4073780 0.88 ALDH1A1 (0.59) ALDH1A1L3MBTL1CYP3A4CYP2C19TRPV1
SCHEMBL4078852 0.83 KEAP1 (0.47) —
SCHEMBL14219289 0.78 GAA (0.32) ALDH1A1GAAKMT2AMEN1
SCHEMBL13933496 0.77 ALDH1A1 (0.61) ALDH1A1L3MBTL1TRPV1ERCC1ERCC4
SCHEMBL4071005 0.77 ALDH1A1 (0.61) ALDH1A1L3MBTL1TRPV1ERCC1ERCC4
SCHEMBL14228818 0.76 ALDH1A1 (0.60) ALDH1A1L3MBTL1CYP3A4CYP2C19TRPV1
SCHEMBL1661081 0.75 TRPV1 (0.76) ALDH1A1L3MBTL1CYP3A4CYP2C19TRPV1
SCHEMBL4073293 0.74 AKR1B1 (0.44) ALDH1A1CYP2C19CYP1A2GAAKMT2A
SCHEMBL4074845 0.74 CYP4F2 (0.41) ALDH1A1GAATDP1

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
EP-2074135-A2 SILICON DERIVATIVES FOR PET IMAGING Bayer Schering Pharma AG (DE) 2009-07-01 — — EP disclosed
US-20090035215-A1 RADIOFLUORINATION BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-05 — — US disclosed
US-20090035215-A1 RADIOFLUORINATION BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-05 — — US disclosed
WO-2008040441-A2 SILICON DERIVATIVES FOR PET IMAGING BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-04-10 — — WO 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 ALDH1A1 1358/4885L3MBTL1 299/4885CYP3A4 1815/4885

“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.

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