SCHEMBL274474

SCHEMBL274474

CC(C)(C)[Si](C)(C)OCCOc1ccc(I)cc1C=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
ERN1 O75460 1/20 0.37
FDPS P14324 1/20 0.36
MAPT P10636 4/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPK1 P28482 1/20 0.35
DUT P33316 2/20 0.35
S1PR4 O95977 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL275040 0.89 ALDH1A1 (0.34) ALDH1A1HTTSMN1; SMN2HPGDERN1
SCHEMBL2151914 0.84 ALDH1A1 (0.45) ALDH1A1HTTSMN1; SMN2HPGDERN1
SCHEMBL3365594 0.84 PTGDR2 (0.51) ALDH1A1HTTSMN1; SMN2HPGDERN1
SCHEMBL3363345 0.83 ALDH1A1 (0.37) ALDH1A1HTTSMN1; SMN2HPGDFDPS
SCHEMBL279072 0.81 ERN1 (0.42) ALDH1A1HPGDERN1PTGDR2CA12
SCHEMBL31367158 0.80 ALDH1A1 (0.64) ALDH1A1HTTSMN1; SMN2HPGDMAPT
SCHEMBL12634929 0.80 ALDH1A1 (0.64) ALDH1A1HTTSMN1; SMN2HPGDMAPT
SCHEMBL3362465 0.80 ESR2 (0.35) ALDH1A1HTTSMN1; SMN2HPGDFDPS
SCHEMBL4216268 0.80 ALDH1A1 (0.36) ALDH1A1HPGDERN1FDPSMAPK1
SCHEMBL1727175 0.80 KDM4E (0.34) ALDH1A1HTTHPGDFDPSMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8134001-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US disclosed
US-8134001-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US disclosed
EP-2229396-B1 SPIROINDOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-10 EP disclosed
EP-2229396-A1 SPIROINDOLINONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-22 EP disclosed
WO-2009077357-A1 SPIROINDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO disclosed
US-20090156610-A1 Spiroindolinone Derivatives DING QINGJIE 2009-06-18 US disclosed
US-20090156610-A1 Spiroindolinone Derivatives DING QINGJIE 2009-06-18 US disclosed
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20090156610-A1 Spiroindolinone Derivatives SDHA, AR, XPOT ALDH1A1 138/4885HTT 2366/4885SMN1; SMN2 2319/4885
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES RB1, PKD1, KRAS ALDH1A1 156/4885HTT 2827/4885SMN1; SMN2 2341/4885

“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.