SCHEMBL891835

SCHEMBL891835

O=C(O)c1nc2cccc(O)c2c(O)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PIM1 P11309 3/20 0.46
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
DYRK1A Q13627 5/20 0.40
ACHE P22303 1/20 0.39
DYRK1B Q9Y463 3/20 0.39
CDK9 P50750 3/20 0.39
CLK1 P49759 2/20 0.39
DYRK2 Q92630 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
CDK5 Q00535 1/20 0.39
CLK2 P49760 1/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL30583760 1.00 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2PIM1CA12
SCHEMBL29012657 0.86 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2PIM1CA12
SCHEMBL292070 0.83 ACHE (0.37) ALDH1A1MAPTSMN1; SMN2PIM1CA1
SCHEMBL9319451 0.79 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2PIM1CA12
SCHEMBL29849579 0.76 ALDH1A1 (0.63) ALDH1A1MAPTSMN1; SMN2PIM1DYRK1A
SCHEMBL296952 0.76 ALDH1A1 (0.63) ALDH1A1MAPTSMN1; SMN2PIM1DYRK1A
SCHEMBL482752 0.75 ACHE (0.46) ALDH1A1MAPTPIM1CA1CA2
SCHEMBL28400152 0.75 DYRK1A (0.49) ALDH1A1MAPTSMN1; SMN2PIM1DYRK1A
SCHEMBL8336160 0.74 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2PIM1CA12
SCHEMBL30533438 0.72 DYRK1A (0.47) ALDH1A1MAPTSMN1; SMN2PIM1DYRK1A

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013619-A2 REAGENTS AND METHODS FOR USING HUMAN EMBRYONIC STEM CELLS TO EVALUATE TOXICITY OF PHARMACEUTICAL COMPOUNDS&OTHER CHEMICALS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-01-14 EP claimed
WO-2007120699-A2 REAGENTS AND METHODS FOR USING HUMAN EMBRYONIC STEM CELLS TO EVALUATE TOXICITY OF PHARMACEUTICAL COMPOUNDS & OTHER CHEMICALS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-10-25 WO claimed
US-10329575-B2 Regulatory sequence for plants CERES, INC. (US) 2019-06-25 US disclosed
US-20180223303-A1 SEQUENCE-DETERMINED DNA FRAGMENTS AND CORRESPONDING POLYPEPTIDES ENCODED THEREBY CERES INC (US) 2018-08-09 US disclosed
US-9673030-B2 Computer readable storage mediums, methods and systems for normalizing chemical profiles in biological or medical samples detected by mass spectrometry EMORY UNIVERSITY (US) 2017-06-06 US disclosed
US-20170037426-A1 Sequence-determined DNA fragments and corresponding polypeptides encoded thereby ALEXANDROV NICKOLAI (US) 2017-02-09 US disclosed
EP-2112211-B1 PARTICLE OF SILICA COMPRISING AN ORGANOLANTHANIDE COMPOUND, PREPARATION METHOD AND USES Commissariat à l'énergie atomique et aux énergies alternatives (FR) 2016-03-23 EP disclosed
US-20160076046-A1 PROMOTER, PROMOTER CONTROL ELEMENTS, AND COMBINATIONS, AND USES THEREOF CERES, INC. (US) 2016-03-17 US disclosed
US-9029523-B2 Promoter, promoter control elements, and combinations, and uses thereof CERES, INC. (US) 2015-05-12 US disclosed
US-20150033417-A9 Promoter, promoter control elements, and combinations, and uses thereof ALEXANDROV NICKOLAI (US) 2015-01-29 US disclosed
US-8877916-B2 Promoter, promoter control elements, and combinations, and uses thereof CERES, INC. (US) 2014-11-04 US disclosed
US-20090265815-A1 Sequence-determined DNA fragments and corresponding polypeptides encoded therapy ALEXANDROV NICKOLAI 2009-10-22 US disclosed
US-20070248947-A1 Reagents and Methods for Using Human Embryonic Stem Cells to Evaluate Toxicity of Pharmaceutical Compounds and Other Chemicals WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-10-25 US disclosed
US-20070214517-A1 Sequence-determined DNA fragments and corresponding polypeptides encoded thereby CERES, INC. (US) 2007-09-13 US disclosed
US-20060150283-A1 Sequence-determined DNA fragments and corresponding polypeptides encoded thereby ALEXANDROV NICKOLAI 2006-07-06 US disclosed
US-20060048240-A1 Sequence-determined DNA fragments and corresponding polypeptides encoded thereby ALEXANDROV NICKOLAI 2006-03-02 US disclosed
EP-1623471-A1 METHOD FOR CONTROLLING THE MOLECULAR WEIGHT DURING POLY(ARYLENE VINYLENE) SYNTHESIS, AND POLYMERS PRODUCED THEREWITH Covion Organic Semiconductors GmbH (DE) 2006-02-08 EP disclosed
EP-1558662-A2 CONJUGATED POLYMERS CONTAINING ARYLAMINE UNITS, THE REPRESENTATION THEREOF AND THE USE OF THE SAME Covion Organic Semiconductors GmbH (DE) 2005-08-03 EP disclosed
WO-2004093209-A1 METHOD FOR CONTROLLING THE MOLECULAR WEIGHT DURING POLY(ARYLENE VINYLENE) SYNTHESIS, AND POLYMERS PRODUCED THEREWITH COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2004-10-28 WO disclosed
WO-2004037887-A2 CONJUGATED POLYMERS CONTAINING ARYLAMINE UNITS, THE REPRESENTATION THEREOF AND THE USE OF THE SAME COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2004-05-06 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 (4 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-20170037426-A1 Sequence-determined DNA fragments and corresponding polypeptides encoded thereby RNGTT, CPSF1, CPSF6 ALDH1A1 4769/4885MAPT 3400/4885SMN1; SMN2 4797/4885
US-20150033417-A9 Promoter, promoter control elements, and combinations, and uses thereof RNGTT, GTF3C5, GTF3C1 ALDH1A1 4635/4885MAPT 3520/4885SMN1; SMN2 4777/4885
US-20070214517-A1 Sequence-determined DNA fragments and corresponding polypeptides encoded thereby RNGTT, CPSF1, CPSF6 ALDH1A1 4769/4885MAPT 3400/4885SMN1; SMN2 4797/4885
US-20060048240-A1 Sequence-determined DNA fragments and corresponding polypeptides encoded thereby RNGTT, CPSF1, CPSF6 ALDH1A1 4769/4885MAPT 3400/4885SMN1; SMN2 4797/4885

“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.