SCHEMBL1964650

SCHEMBL1964650

CCOC(=O)c1cccc(Nc2ccc(OCCN3CCOCC3)cc2OC)c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
PPARG P37231 3/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
LMNA P02545 1/20 0.44
KDM4E B2RXH2 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL1962517 0.93 KMT2A (0.46) ALDH1A1KDM4ETSHR
SCHEMBL1961839 0.92 KMT2A (0.48) ALDH1A1KDM4ETSHRHRH3
SCHEMBL1964681 0.89 PPARG (0.47) ALDH1A1PPARGESR1ESR2KDM4E
SCHEMBL1964649 0.88 MAPK1 (0.51) ALDH1A1PPARGMAPK1L3MBTL1ESR2
SCHEMBL1963162 0.86 EPHX2 (0.51) PPARGKDM4ETP53TSHR
SCHEMBL1962723 0.86 PPARG (0.49) ALDH1A1PPARGESR1ESR2KDM4E
SCHEMBL15163090 0.83 KMT2A (0.50) ALDH1A1KDM4ETSHRMAPTHRH3
SCHEMBL1963479 0.82 CDC25B (0.54) ALDH1A1MAPK1L3MBTL1LMNAKDM4E
SCHEMBL1964675 0.82 CDC25B (0.46) ALDH1A1LMNAKDM4ETP53TSHR
SCHEMBL1961738 0.81 CDC25B (0.45) ALDH1A1LMNAKDM4ETP53TSHR

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
EP-1919892-B1 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORP (US) 2013-08-14 EP disclosed
US-8481568-B2 Isoindole-imide compounds and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2013-07-09 US disclosed
US-20110144158-A1 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SEPRACOR INC. 2011-06-16 US disclosed
EP-1919892-A2 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2008-05-14 EP disclosed
WO-2007027527-A2 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2007-03-08 WO disclosed
US-20070049618-A1 Isoindole-imide compounds and compositions comprising and methods of using the same CELGENE CORPORATION 2007-03-01 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-20110144158-A1 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SI, CYP3A5, CYP2D6 ALDH1A1 1081/4885PPARG 2235/4885MAPK1 4566/4885
US-20070049618-A1 Isoindole-imide compounds and compositions comprising and methods of using the same SI, CYP3A5, CYP2D6 ALDH1A1 1081/4885PPARG 2235/4885MAPK1 4566/4885

“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.