SCHEMBL8043209

SCHEMBL8043209

C=C(/N=C/c1cccc(C)c1C)O[Si](C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.32
ATM Q13315 1/20 0.32
ALDH1A1 P00352 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
MPI P34949 1/20 0.31
RECQL P46063 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL2803314 0.88 L3MBTL1 (0.40) ALDH1A1L3MBTL1KDM4EPOLBMAPT
SCHEMBL2803312 0.88 L3MBTL1 (0.40) ALDH1A1L3MBTL1KDM4EPOLBMAPT
SCHEMBL13928915 0.85 MAPT (0.33) ALDH1A1MAPT
SCHEMBL13928924 0.83 NPSR1 (0.31)
SCHEMBL8041987 0.78 GRIN2D (0.44) ATMALDH1A1POLBMAPTMEN1
SCHEMBL13928905 0.77 ALDH1A1 (0.45) ALDH1A1KDM4EPOLBMAPTMEN1
SCHEMBL13928912 0.77 MAPT (0.39) ATMALDH1A1KDM4EPOLBMAPT
SCHEMBL8043508 0.76 LMNA (0.41) ALDH1A1KDM4EPOLBMAPTMEN1
SCHEMBL13928909 0.75 GABRA1 (0.33) MAPTKMT2ALMNAHPGD
SCHEMBL13928907 0.75 ALDH1A1 (0.31) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7495007-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
US-7495007-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
US-20080188506-A1 SPIROINDOLINONE DERIVATIVES DING QINGJIE 2008-08-07 US disclosed
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 US disclosed
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 US disclosed
WO-2007104664-A1 SPIROINDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-09-20 WO disclosed
US-20070213341-A1 Spiroindolinone derivatives CHEN LI 2007-09-13 US disclosed
US-20070213341-A1 Spiroindolinone derivatives CHEN LI 2007-09-13 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 (3 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-20080009486-A1 SPIROINDOLINONE DERIVATIVES RB1, PKD1, KRAS TRPA1 2574/4885ATM 1732/4885ALDH1A1 156/4885
US-20080188506-A1 SPIROINDOLINONE DERIVATIVES MKI67, MCL1, BAD TRPA1 3358/4885ATM 2004/4885ALDH1A1 56/4885
US-20070213341-A1 Spiroindolinone derivatives MKI67, PKD1, RCC2 TRPA1 3064/4885ATM 2027/4885ALDH1A1 65/4885

“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.