SCHEMBL4423987

SCHEMBL4423987

C[Si](C)(C)CCOCOc1cc(O)cc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.39
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
MPI P34949 1/20 0.36
DAO P14920 1/20 0.34
NPC1 O15118 1/20 0.34
NCF1 P14598 4/20 0.33
KCNA3 P22001 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
HTR1B P28222 3/20 0.33
HTR1D P28221 1/20 0.33
SLC6A4 P31645 1/20 0.32
HRH1 P35367 1/20 0.32

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
SCHEMBL29344208 0.85 CYP1A2 (0.40) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL6041625 0.84 PKM (0.35) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL6041616 0.82 L3MBTL1 (0.34) KDM4EALDH1A1HPGDNPC1NCF1
SCHEMBL29937490 0.81 KCNA3 (0.34) KDM4ENCF1KCNA3ALOX5APFEN1
SCHEMBL6042018 0.80 PDE4A (0.36) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL4419587 0.78 ALDH1A1 (0.39) KDM4EALDH1A1HPGDNPC1
SCHEMBL6041493 0.78 CDC25B (0.40) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL6042053 0.75 KDM4E (0.35) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL25325320 0.74 MAPT (0.46) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL6042263 0.74 PDE10A (0.35) KDM4EALDH1A1HPGDMAPTNPC1

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
US-7495001-B2 Benzannelated derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
EP-1682507-A1 BENZANNELATED COMPOUNDS AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 EP disclosed
WO-2005049572-A1 BENZANNELATED COMPOUNDS AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 WO disclosed
US-20050096336-A1 Benzannelated derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-05-05 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-20050096336-A1 Benzannelated derivatives, their manufacture and use as pharmaceutical agents PPARD, PPARA, PPARG NQO2 1376/4885KDM4E 1857/4885ALDH1A1 714/4885

“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.