SCHEMBL275754

SCHEMBL275754

CC(C)(C)[Si](C)(C)Oc1cc(I)ccc1C=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.39
ALDH1A1 P00352 4/20 0.37
CA12 O43570 4/20 0.33
CA1 P00915 4/20 0.33
CA9 Q16790 4/20 0.33
PREP P48147 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RAD51 Q06609 1/20 0.32
PRKDC P78527 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
DRD2 P14416 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
SCHEMBL279072 0.88 ERN1 (0.42) ERN1ALDH1A1CA12CA1CA9
SCHEMBL19810818 0.83 ALDH1A1 (0.49) ERN1ALDH1A1CA12CA1CA9
SCHEMBL17786204 0.83 ALDH1A1 (0.40) ERN1ALDH1A1CA12CA1CA9
SCHEMBL14679006 0.83 ERN1 (0.40) ERN1ALDH1A1CA12CA1CA9
SCHEMBL275702 0.81 TDP1 (0.44) ERN1ALDH1A1CA12CA1CA9
SCHEMBL6902425 0.81 PTPN1 (0.38) ERN1ALDH1A1CA12CA1CA9
SCHEMBL1201100 0.77 ALDH1A1 (0.48) ERN1ALDH1A1L3MBTL1NPSR1KDM4E
SCHEMBL29722800 0.77 ALDH1A1 (0.48) ERN1ALDH1A1L3MBTL1NPSR1KDM4E
SCHEMBL1421446 0.76 DRD2 (0.39) ALDH1A1CA12CA1CA9PREP
SCHEMBL2664139 0.74 ALDH1A1 (0.63) ERN1ALDH1A1L3MBTL1PRKDCKDM4E

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
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-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

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 ERN1 2608/4885ALDH1A1 138/4885CA12 4093/4885
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES RB1, PKD1, KRAS ERN1 974/4885ALDH1A1 156/4885CA12 4435/4885

“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.