SCHEMBL279072

SCHEMBL279072

CC(C)(C)[Si](C)(C)Oc1ccc(I)cc1C=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.42
CA12 O43570 4/20 0.33
CA1 P00915 4/20 0.33
CA9 Q16790 4/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DRD2 P14416 1/20 0.32
PREP P48147 2/20 0.32
LMNA P02545 2/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
HPGD P15428 1/20 0.31
PRKDC P78527 1/20 0.31

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
SCHEMBL275754 0.88 ERN1 (0.39) ERN1CA12CA1CA9ALDH1A1
SCHEMBL1070012 0.84 CA12 (0.48) ERN1CA12CA1CA9ALDH1A1
SCHEMBL28500163 0.83 PTGDR2 (0.48) ERN1CA12CA1CA9ALDH1A1
SCHEMBL274474 0.81 ALDH1A1 (0.38) ERN1CA12CA1CA9ALDH1A1
SCHEMBL3510807 0.81 MAPT (0.39) CA12CA1CA9ALDH1A1KDM4E
SCHEMBL4580138 0.81 CA12 (0.33) CA12CA1CA9ALDH1A1KDM4E
SCHEMBL7263728 0.81 ERN1 (0.37) ERN1CA12CA1CA9ALDH1A1
SCHEMBL22032601 0.81 ALDH1A1 (0.40) ERN1ALDH1A1KDM4EDRD2
SCHEMBL278950 0.81 ERN1 (0.42) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL23263 0.80 ALDH1A1 (0.50) ERN1CA12CA1CA9ALDH1A1

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 6 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-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 ERN1 2608/4885CA12 4093/4885CA1 3992/4885
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES RB1, PKD1, KRAS ERN1 974/4885CA12 4435/4885CA1 4448/4885

“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.