SCHEMBL274272

SCHEMBL274272

O=Cc1cc(I)ccc1Oc1ccc(OCCO)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.41
ALDH1A1 P00352 3/20 0.38
RECQL P46063 1/20 0.38
LMNA P02545 2/20 0.37
GAA P10253 2/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
NR1I2 O75469 1/20 0.36
MAPT P10636 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
TUBB1 Q9H4B7 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL4478679 0.87 ERN1 (0.50) ERN1ALDH1A1RECQLGAAKMT2A
SCHEMBL275854 0.83 MAPT (0.42) ERN1ALDH1A1RECQLLMNAGAA
SCHEMBL275040 0.78 ALDH1A1 (0.34) ERN1ALDH1A1LMNAGAAKMT2A
SCHEMBL12437403 0.78 ERN1 (0.43) ERN1ALDH1A1LMNAGAAKMT2A
SCHEMBL274871 0.78 ALDH1A1 (0.61) ERN1ALDH1A1LMNAGAAKMT2A
SCHEMBL275721 0.77 TBXA2R (0.42) ERN1ALDH1A1LMNAGAAKMT2A
SCHEMBL276700 0.74 ERN1 (0.47) ERN1ALDH1A1LMNAKMT2ACYP1A2
SCHEMBL12954760 0.73 GAA (0.47) ERN1ALDH1A1LMNAGAACYP1A2
SCHEMBL2996533 0.73 ALDH1A1 (0.60) ALDH1A1RECQLGAACYP3A4SMN1; SMN2
SCHEMBL9155251 0.72 KDM4E (0.56) ERN1ALDH1A1GAAKMT2AMAPT

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 ERN1 2608/4885ALDH1A1 138/4885RECQL 11/4885

“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.