SCHEMBL4376300

SCHEMBL4376300

CCOC(=O)Cn1c2ccccc2c2nc3cc4ccccc4cc3nc21

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.84
HSD17B10 Q99714 5/20 0.84
KDM4E B2RXH2 5/20 0.84
TSHR P16473 3/20 0.84
HPGD P15428 1/20 0.84
SAE1 Q9UBE0 1/20 0.84
UBA2 Q9UBT2 1/20 0.84
CTNNB1 P35222 2/20 0.70
MAPT P10636 6/20 0.69
KMT2A Q03164 5/20 0.69
MEN1 O00255 4/20 0.69
ALOX15 P16050 1/20 0.69
CACNA1B Q00975 1/20 0.69
APBA1 Q02410 1/20 0.69
HTT P42858 2/20 0.60
RAB9A P51151 1/20 0.56
GAA P10253 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
TDP1 Q9NUW8 2/20 0.53

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
SCHEMBL18257902 0.82 CTNNB1 (1.00) ALDH1A1HSD17B10KDM4ETSHRHPGD
SCHEMBL4376305 0.79 KDM4E (0.62) ALDH1A1HSD17B10KDM4ETSHRHPGD
SCHEMBL29540705 0.77 KDM4E (0.71) ALDH1A1HSD17B10KDM4ETSHRHPGD
SCHEMBL151122 0.77 KDM4E (0.71) ALDH1A1HSD17B10KDM4ETSHRHPGD
SCHEMBL1611193 0.77 ALDH1A1 (0.59) ALDH1A1HSD17B10KDM4ETSHRHPGD
SCHEMBL1614791 0.76 ALDH1A1 (0.72) ALDH1A1HSD17B10KDM4ETSHRHPGD
SCHEMBL31372463 0.74 KDM4E (0.70) ALDH1A1HSD17B10KDM4ETSHRHPGD
SCHEMBL13066068 0.74 KDM4E (0.70) ALDH1A1HSD17B10KDM4ETSHRHPGD
SCHEMBL1779695 0.72 RAB9A (0.68) ALDH1A1HSD17B10KDM4ETSHRHPGD
SCHEMBL1611668 0.72 KMT2A (0.71) ALDH1A1HSD17B10KDM4ETSHRHPGD

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-6861431-B2 Compounds capable of modulating the activity of multidrug transporters and therapeutic use of the same THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2005-03-01 US claimed
US-20030073611-A1 Compounds capable of modulating the activity of multidrug transporters and therapeutic use of the same BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS, THE 2003-04-17 US claimed
WO-2002076439-A2 COMPOUNDS CAPABLE OF MODULATING THE ACTIVITY OF MULTIDRUG TRANSPORTERS AND THERAPEUTIC USE OF THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2002-10-03 WO claimed
US-20090325906-A1 Methods and compositions for therapeutic treatment LIMERICK BIOPHARMA, INC. 2009-12-31 US disclosed
WO-2009158031-A2 METHODS AND COMPOSITIONS FOR THERAPEUTIC TREATMENT LIMERICK BIOPHARMA, INC. (US) 2009-12-30 WO disclosed
WO-2009158007-A2 METHODS AND COMPOSITIONS FOR THERAPEUTIC TREATMENT LIMERICK BIOPHARMA, INC. (US) 2009-12-30 WO disclosed
EP-2066331-A2 METHODS FOR TREATING PAIN WITH REDUCED NUASEA AND VOMITING Limerick BioPharma, Inc. (US) 2009-06-10 EP disclosed
US-20090088394-A1 METHODS AND COMPOSITIONS FOR THERAPEUTIC TREATMENT ROBBINS WENDYE 2009-04-02 US disclosed
US-20090076053-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN EFFLUX TECHNOLOGY, INC. 2009-03-19 US disclosed
WO-2008070346-A9 METHODS FOR TREATING PAIN WITH REDUCED NUASEA AND VOMITING LIMERICK BIOPHARMA INC (US) 2008-08-14 WO disclosed
US-20080161248-A1 Methods and Compositions for Therapeutic Treatment LIMERICK BIOPHARMA, INC. 2008-07-03 US disclosed
WO-2008070346-A2 METHODS FOR TREATING PAIN WITH REDUCED NUASEA AND VOMITING LIMERICK BIOPHARMA, INC. (US) 2008-06-12 WO disclosed
EP-1817023-A2 METHODS AND COMPOSITIONS FOR TREATING PAIN Limerick Neurosciences, Inc. (US) 2007-08-15 EP disclosed
US-20070087977-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN LIMERICK BIOPHARMA, INC. 2007-04-19 US disclosed
WO-2006055672-A2 METHODS AND COMPOSITIONS FOR TREATING PAIN LIMERICK NEUROSCIENCES, INC. (US) 2006-05-26 WO disclosed
US-20060111307-A1 Methods and compositions for treating pain LIMERICK NEUROSCIENCES, INC. 2006-05-25 US disclosed
US-20060111308-A1 Methods and compositions for therapeutic treatment LIMERICK NEUROSCIENCES, INC. 2006-05-25 US disclosed
US-6861431-B2 Compounds capable of modulating the activity of multidrug transporters and therapeutic use of the same THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2005-03-01 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 (8 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-20060111307-A1 Methods and compositions for treating pain PGF, FABP7, ALPP ALDH1A1 1113/4885HSD17B10 2250/4885KDM4E 4712/4885
US-20090325906-A1 Methods and compositions for therapeutic treatment SLC2A1, SLC2A2, SLC2A3 ALDH1A1 3471/4885HSD17B10 1229/4885KDM4E 4285/4885
US-20070087977-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN PGF, FABP7, ALPP ALDH1A1 1113/4885HSD17B10 2250/4885KDM4E 4712/4885
US-20030073611-A1 Compounds capable of modulating the activity of multidrug transporters and therapeutic use of the same ABCB1, SLC47A1, SLC47A2 ALDH1A1 771/4885HSD17B10 1333/4885KDM4E 3995/4885
US-20090088394-A1 METHODS AND COMPOSITIONS FOR THERAPEUTIC TREATMENT PGF, FABP7, ALPP ALDH1A1 1215/4885HSD17B10 1852/4885KDM4E 4598/4885
US-20090076053-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN PGF, FABP7, ALPP ALDH1A1 1113/4885HSD17B10 2250/4885KDM4E 4712/4885
US-20060111308-A1 Methods and compositions for therapeutic treatment PGF, FABP7, ALPP ALDH1A1 1215/4885HSD17B10 1852/4885KDM4E 4598/4885
US-20080161248-A1 Methods and Compositions for Therapeutic Treatment PGF, ALPP, CHP1 ALDH1A1 3610/4885HSD17B10 2646/4885KDM4E 4212/4885

“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.