SCHEMBL94414

SCHEMBL94414

CC(c1cccs1)(c1cccs1)c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
CNR1 P21554 3/20 0.40
CNR2 P34972 3/20 0.40
ESR1 P03372 1/20 0.37
FBP1 P09467 1/20 0.36
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
CHRM3 P20309 3/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TSHR P16473 2/20 0.34
ALOX5 P09917 2/20 0.33
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
ACLY P53396 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL29064510 0.84 ESR1 (0.43) SMN1; SMN2CNR1CNR2ESR1ALDH1A1
SCHEMBL13706022 0.83 CNR1 (0.47) SMN1; SMN2CNR1CNR2ESR1FBP1
SCHEMBL73299 0.83
SCHEMBL28937212 0.81 SMN1; SMN2 (0.40) SMN1; SMN2CNR1CNR2ESR1FBP1
Ammonia Solution, Strong SCHEMBL4425485 0.81 SMN1; SMN2 (0.40) SMN1; SMN2CNR1CNR2ESR1FBP1
SCHEMBL23573882 0.81 SMN1; SMN2 (0.40) SMN1; SMN2CNR1CNR2ESR1FBP1
SCHEMBL355657 0.81
SCHEMBL9879847 0.81 SMN1; SMN2 (0.40) SMN1; SMN2CNR1CNR2ESR1FBP1
SCHEMBL1363215 0.81 SMN1; SMN2 (0.40) SMN1; SMN2CNR1CNR2ESR1FBP1
SCHEMBL28239645 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137440-A1 LYSINE RIBOSWITCHES, STRUCTURE-BASED COMPOUND DESIGN WITH LYSINE RIBOSWITCHES, AND METHODS AND COMPOSITIONS FOR USE OF AND WITH LYSINE RIBOSWITCHES YALE UNIVERSITY (US) 2010-06-03 US claimed
EP-2061799-A2 METHODS AND COMPOSITIONS FOR THE USE OF LYSINE RIBOSWITCHES YALE UNIVERSITY (US) 2009-05-27 EP claimed
WO-2008033866-A2 METHODS AND COMPOSITIONS FOR THE USE OF LYSINE RIBOSWITCHES YALE UNIVERSITY (US) 2008-03-20 WO claimed
US-20130012527-A1 PREQ1 RIBOSWITCHES AND METHODS AND COMPOSITIONS FOR USE OF AND WITH PREQ1 RIBOSWITCHES YALE UNIVERSITY (US) 2013-01-10 US disclosed
EP-2426219-A1 Riboswitches and methods and compositions for use of and with riboswitches Yale University (US) 2012-03-07 EP disclosed
EP-2426218-A1 Riboswitches and methods and compositions for use of and with riboswitches Yale University (US) 2012-03-07 EP disclosed
US-20100286082-A1 RIBOSWITCHES AND METHODS AND COMPOSITIONS FOR USE OF AND WITH RIBOSWITCHES YALE UNIVERSITY (US) 2010-11-11 US disclosed
US-20100152212-A1 PREQ1 RIBOSWITCHES AND METHODS AND COMPOSITIONS FOR USE OF AND WITH PREQ1 RIBOSWITCHES YALE UNIVERSITY (US) 2010-06-17 US disclosed
US-20100137440-A1 LYSINE RIBOSWITCHES, STRUCTURE-BASED COMPOUND DESIGN WITH LYSINE RIBOSWITCHES, AND METHODS AND COMPOSITIONS FOR USE OF AND WITH LYSINE RIBOSWITCHES YALE UNIVERSITY (US) 2010-06-03 US disclosed
EP-2164996-A2 RIBOSWITCHES AND METHODS AND COMPOSITIONS FOR USE OF AND WITH RIBOSWITCHES YALE UNIVERSITY (US) 2010-03-24 EP disclosed
EP-2139909-A1 PREQ1 RIBOSWITCHES AND METHODS AND COMPOSITIONS FOR USE OF AND WITH PREQ1 RIBOSWITCHES Yale University, Inc. (US) 2010-01-06 EP disclosed
EP-2061799-A2 METHODS AND COMPOSITIONS FOR THE USE OF LYSINE RIBOSWITCHES YALE UNIVERSITY (US) 2009-05-27 EP disclosed
WO-2008156987-A9 RIBOSWITCHES AND METHODS AND COMPOSITIONS FOR USE OF AND WITH RIBOSWITCHES UNIV YALE (US) 2009-03-26 WO disclosed
WO-2008156987-A2 RIBOSWITCHES AND METHODS AND COMPOSITIONS FOR USE OF AND WITH RIBOSWITCHES YALE UNIVERSITY (US) 2008-12-24 WO disclosed
WO-2008116223-A1 PREQ1 RIBOSWITCHES AND METHODS AND COMPOSITIONS FOR USE OF AND WITH PREQ1 RIBOSWITCHES YALE UNIVERSITY (US) 2008-09-25 WO disclosed
WO-2008033866-A2 METHODS AND COMPOSITIONS FOR THE USE OF LYSINE RIBOSWITCHES YALE UNIVERSITY (US) 2008-03-20 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-20100152212-A1 PREQ1 RIBOSWITCHES AND METHODS AND COMPOSITIONS FOR USE OF AND WITH PREQ1 RIBOSWITCHES NSUN3, TRDMT1, RPRD2 SMN1; SMN2 2966/4885CNR1 4406/4885CNR2 4736/4885
US-20100137440-A1 LYSINE RIBOSWITCHES, STRUCTURE-BASED COMPOUND DESIGN WITH LYSINE RIBOSWITCHES, AND METHODS AND COMPOSITIONS FOR USE OF AND WITH LYSINE RIBOSWITCHES RNGTT, KARS1, EMG1 SMN1; SMN2 4105/4885CNR1 4205/4885CNR2 4514/4885
US-20100286082-A1 RIBOSWITCHES AND METHODS AND COMPOSITIONS FOR USE OF AND WITH RIBOSWITCHES RNGTT, NSUN3, RNASEH1 SMN1; SMN2 3587/4885CNR1 4441/4885CNR2 4661/4885
US-20130012527-A1 PREQ1 RIBOSWITCHES AND METHODS AND COMPOSITIONS FOR USE OF AND WITH PREQ1 RIBOSWITCHES RNASEH1, NSUN3, RNGTT SMN1; SMN2 3453/4885CNR1 4450/4885CNR2 4768/4885

“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.