SCHEMBL275629

SCHEMBL275629

COc1ccc(Oc2ccc(Br)cc2C=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.61
ALDH1A1 P00352 4/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
KMT2A Q03164 3/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.48
ERN1 O75460 4/20 0.45
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
PRKDC P78527 1/20 0.42
TTR P02766 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL274863 0.84 PTGDR2 (0.48) LMNAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2075254 0.83 LMNA (0.62) LMNAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL13580942 0.83 PTGDR2 (0.44) LMNAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL276104 0.83 PTGDR2 (0.48) LMNAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL29890082 0.83 ERN1 (0.58) LMNAALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL153974 0.83 ERN1 (0.58) LMNAALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL5628127 0.81 CCR5 (0.63) LMNAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL29859226 0.81 CCR5 (0.63) LMNAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL274871 0.81 ALDH1A1 (0.61) LMNAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL275895 0.81 ALDH1A1 (0.66) LMNAALDH1A1CYP1A2CYP2C9CYP2C19

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 LMNA 549/4885ALDH1A1 138/4885CYP1A2 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.