SCHEMBL276011

SCHEMBL276011

Cc1ccc(C)c(Oc2ccc(Br)cc2C=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.46
ERN1 O75460 3/20 0.41
NPSR1 Q6W5P4 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 5/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 4/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
NPC1 O15118 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL5606306 0.87 ACHE (0.49) PTGDR2ERN1NPSR1SMN1; SMN2ALDH1A1
SCHEMBL16852148 0.79 ALDH1A1 (0.46) PTGDR2ERN1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL21371124 0.78 NPSR1 (0.51) PTGDR2ERN1NPSR1SMN1; SMN2ALDH1A1
SCHEMBL16852150 0.76 ERN1 (0.43) PTGDR2ERN1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL1539399 0.74 ALDH1A1 (0.42) PTGDR2SMN1; SMN2ALDH1A1L3MBTL1TDP1
SCHEMBL144351 0.74 ERN1 (0.57) PTGDR2ERN1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL31401340 0.74 ERN1 (0.57) PTGDR2ERN1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL3278966 0.74 ACHE (0.50) SMN1; SMN2ALDH1A1TDP1LMNAKMT2A
SCHEMBL29890082 0.73 ERN1 (0.58) PTGDR2ERN1NPSR1SMN1; SMN2ALDH1A1
SCHEMBL153974 0.73 ERN1 (0.58) PTGDR2ERN1NPSR1SMN1; SMN2ALDH1A1

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 PTGDR2 996/4885ERN1 2608/4885NPSR1 2333/4885

“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.