SCHEMBL1099166

SCHEMBL1099166

O=C(O)c1cccc(OCc2ccc3c(c2)OCO3)c1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.57
KMT2A Q03164 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
CYP3A4 P08684 2/20 0.51
HPGD P15428 3/20 0.49
POLB P06746 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PDE5A O76074 1/20 0.47
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 2/20 0.46
HTT P42858 2/20 0.46
NR1H4 Q96RI1 1/20 0.45
MAOB P27338 1/20 0.45
CALM1 P0DP23 1/20 0.45
FOLH1 Q04609 2/20 0.45
LMNA P02545 2/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL1095991 0.88 HPGD (0.51) TDP1KMT2AL3MBTL1CYP3A4HPGD
SCHEMBL1095988 0.82 KMT2A (0.56) TDP1KMT2AL3MBTL1CYP3A4HPGD
SCHEMBL7910955 0.79 MAOB (0.66) TDP1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL28628885 0.78 KMT2A (0.62) TDP1KMT2AL3MBTL1CYP3A4HPGD
SCHEMBL1097870 0.77 FOLH1 (0.62) TDP1KMT2AL3MBTL1NPC1ALDH1A1
SCHEMBL2250512 0.76 FOLH1 (0.51) HPGDNPC1RAB9AHTTMAOB
SCHEMBL1098147 0.76 NR4A2 (0.57) KMT2AL3MBTL1MAOBFOLH1LMNA
SCHEMBL1097268 0.76 MRGPRX4 (0.53) MAOBFOLH1
SCHEMBL1096673 0.76 RXRA (0.57) KMT2AHPGDNPC1RAB9AMAOB
SCHEMBL1097135 0.76 MAOB (0.62) KMT2AMAOBFOLH1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10385037-B2 4′-O-substituted isoindoline derivatives and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2019-08-20 US disclosed
EP-3101017-B1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORP (US) 2019-06-12 EP disclosed
US-20180155316-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION 2018-06-07 US disclosed
US-9920027-B2 4′-O-substituted isoindoline derivatives and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2018-03-20 US disclosed
US-RE46639-E1 4′-O-substituted isoindoline derivatives and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2017-12-19 US disclosed
EP-3101017-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME Celgene Corporation (US) 2016-12-07 EP disclosed
EP-2142534-B1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORP (US) 2016-08-10 EP disclosed
US-20160024048-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION 2016-01-28 US disclosed
US-9181216-B2 4′-O-substituted isoindoline derivatives and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2015-11-10 US disclosed
CN-103641814-A 4'-O-substituted isoindoline derivatives and compositions comprising and methods of using the same CELGENE CORP 2014-03-19 CN disclosed
US-20140073669-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION 2014-03-13 US disclosed
US-8614328-B2 4′-O-substituted isoindoline derivatives and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2013-12-24 US disclosed
US-20120165536-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION 2012-06-28 US disclosed
US-8153659-B2 4′-O-substituted isoindoline derivatives and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2012-04-10 US disclosed
CN-101679380-A 4' -O-substituted isoindoline derivatives and compositions comprising and methods of use CELGENE CORP 2010-03-24 CN disclosed
EP-2142534-A2 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2010-01-13 EP disclosed
US-20090004209-A1 4'-O- substituted isoindoline derivatives and compositions comprising and methods of using the same CELGENE CORPORATION 2009-01-01 US disclosed
WO-2008115516-A2 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2008-09-25 WO 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 (6 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-20140073669-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A4, CYP3A7, CYP4B1 TDP1 1424/4885KMT2A 4089/4885L3MBTL1 4427/4885
US-20160024048-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A4, CYP3A7, CYP4B1 TDP1 1424/4885KMT2A 4089/4885L3MBTL1 4427/4885
US-20090004209-A1 4'-O- substituted isoindoline derivatives and compositions comprising and methods of using the same CYP3A4, CYP3A7, CYP4B1 TDP1 1424/4885KMT2A 4089/4885L3MBTL1 4427/4885
US-20120165536-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A4, CYP3A7, CYP4B1 TDP1 1424/4885KMT2A 4089/4885L3MBTL1 4427/4885
US-20180155316-A1 4'-O-SUBSTITUTED ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A4, CYP3A7, CYP4B1 TDP1 1424/4885KMT2A 4089/4885L3MBTL1 4427/4885
US-10385037-B2 4′-O-substituted isoindoline derivatives and compositions comprising and methods of using the same CYP3A4, CYP3A7, CYP4B1 TDP1 1371/4885KMT2A 4102/4885L3MBTL1 4432/4885

“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.