SCHEMBL3363345

SCHEMBL3363345

CCc1ccc(OCCO[Si](C)(C)C(C)(C)C)c(C=O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
FDPS P14324 1/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
DUT P33316 2/20 0.34
TUBB1 Q9H4B7 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
KMT2A Q03164 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 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
SCHEMBL8588783 0.91 ALDH1A1 (0.40) ALDH1A1HPGDSMN1; SMN2HTTFDPS
SCHEMBL23611307 0.83 DRD2 (0.40) ALDH1A1HPGDSMN1; SMN2MAPTLMNA
SCHEMBL2151914 0.83 ALDH1A1 (0.45) ALDH1A1HPGDSMN1; SMN2HTTMAPT
SCHEMBL3365594 0.83 PTGDR2 (0.51) ALDH1A1HPGDSMN1; SMN2HTTFDPS
SCHEMBL274474 0.83 ALDH1A1 (0.38) ALDH1A1HPGDSMN1; SMN2HTTFDPS
SCHEMBL14804154 0.82 KDM4E (0.38) ALDH1A1SMN1; SMN2DUTPPARGPPARD
SCHEMBL14804142 0.81 MAPT (0.45) ALDH1A1HPGDSMN1; SMN2MAPTKMT2A
SCHEMBL8130484 0.80 TUBB1 (0.33) ALDH1A1HPGDSMN1; SMN2HTTFDPS
SCHEMBL17903540 0.80 L3MBTL1 (0.36) ALDH1A1HPGDSMN1; SMN2HTTFDPS
SCHEMBL31367158 0.79 ALDH1A1 (0.64) ALDH1A1HPGDSMN1; SMN2HTTMAPT

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
EP-1996590-B1 SPIROINDOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-10-06 EP 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-7495007-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
EP-1996590-A1 SPIROINDOLINONE DERIVATIVES F. Hoffmann-la Roche AG (CH) 2008-12-03 EP 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
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 (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-20080009486-A1 SPIROINDOLINONE DERIVATIVES RB1, PKD1, KRAS ALDH1A1 156/4885HPGD 1805/4885SMN1; SMN2 2341/4885
US-20070213341-A1 Spiroindolinone derivatives MKI67, PKD1, RCC2 ALDH1A1 65/4885HPGD 463/4885SMN1; SMN2 2112/4885

“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.