SCHEMBL274871

SCHEMBL274871

COc1ccc(Oc2ccc(I)cc2C=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
LMNA P02545 3/20 0.61
CYP1A2 P05177 2/20 0.61
CYP2C19 P33261 2/20 0.61
CYP2C9 P11712 1/20 0.61
ERN1 O75460 4/20 0.44
TRIM24 O15164 1/20 0.44
TYR P14679 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
CYP2A6 P11509 1/20 0.43
GAA P10253 2/20 0.42
KMT2A Q03164 1/20 0.42
TTR P02766 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
APP P05067 1/20 0.41

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
SCHEMBL12437403 0.84 ERN1 (0.43) ALDH1A1LMNACYP1A2CYP2C19CYP2C9
SCHEMBL276700 0.83 ERN1 (0.47) ALDH1A1LMNACYP1A2CYP2C19CYP2C9
SCHEMBL3733145 0.83 ALDH1A1 (0.55) ALDH1A1LMNAERN1HPGDKDM4E
SCHEMBL31402282 0.83 ALDH1A1 (0.55) ALDH1A1LMNAERN1HPGDKDM4E
SCHEMBL275629 0.81 LMNA (0.61) ALDH1A1LMNACYP1A2CYP2C19CYP2C9
SCHEMBL2419953 0.81 ALDH1A1 (0.61) ALDH1A1LMNACYP1A2CYP2C19CYP2C9
SCHEMBL26705583 0.81 TUBB1 (0.50) ALDH1A1LMNACYP1A2CYP2C19CYP2C9
SCHEMBL275895 0.81 ALDH1A1 (0.66) ALDH1A1LMNACYP1A2CYP2C19CYP2C9
SCHEMBL275721 0.80 TBXA2R (0.42) ALDH1A1LMNACYP1A2CYP2C19CYP2C9
SCHEMBL276088 0.78 NPSR1 (0.45) ALDH1A1LMNACYP1A2CYP2C19CYP2C9

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
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-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
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-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.