SCHEMBL275040

SCHEMBL275040

CC(C)(C)[Si](C)(C)OCCOc1ccc(Oc2ccc(I)cc2C=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
LMNA P02545 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
ERN1 O75460 2/20 0.32
TUBB1 Q9H4B7 1/20 0.32
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
DUT P33316 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PPARA Q07869 1/20 0.31
TBXA2R P21731 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL274474 0.89 ALDH1A1 (0.38) ALDH1A1LMNAMAPTHPGDERN1
SCHEMBL275136 0.86 ALDH1A1 (0.41) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL274698 0.86 PPARA (0.41) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL279098 0.80
SCHEMBL31621061 0.78 APP (0.42) ALDH1A1DUTSMN1; SMN2
SCHEMBL274272 0.78 ERN1 (0.41) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL17558158 0.77 TUBB1 (0.41) ALDH1A1LMNAMAPTHPGDTUBB1
SCHEMBL17558097 0.76 TUBB1 (0.43) ALDH1A1LMNAMAPTHPGDTUBB1
SCHEMBL279072 0.75 ERN1 (0.42) ALDH1A1LMNAHPGDERN1
SCHEMBL664995 0.75 ALDH1A1 (0.50) ALDH1A1LMNAMAPTHPGDKMT2A

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 7 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

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-20090156610-A1 Spiroindolinone Derivatives SDHA, AR, XPOT ALDH1A1 138/4885LMNA 549/4885CYP1A2 277/4885

“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.