SCHEMBL251926

SCHEMBL251926

CC1(C)OC[C@H](COc2ccc(C=O)cc2)O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.48
CA2 P00918 1/20 0.44
MAPK14 Q16539 10/20 0.43
MIF P14174 1/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TP53 P04637 2/20 0.39
TSHR P16473 2/20 0.39
CYP1A2 P05177 1/20 0.39
PPARG P37231 1/20 0.39
HIF1A Q16665 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 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
SCHEMBL3598217 1.00 APP (0.48) APPCA2MAPK14MIFLMNA
SCHEMBL382940 1.00 APP (0.48) APPCA2MAPK14MIFLMNA
SCHEMBL1133835 0.86 ALDH1A1 (0.43) APPCA2MAPK14LMNAMAPT
SCHEMBL1133834 0.86 ALDH1A1 (0.43) APPCA2MAPK14LMNAMAPT
SCHEMBL24060753 0.86 CA2 (0.44) APPCA2MAPK14LMNAHTT
SCHEMBL25158926 0.85 APP (0.56) APPCA2MAPK14LMNAHTT
SCHEMBL7165644 0.84 ALDH1A1 (0.45) APPCA2MAPK14LMNAMAPT
SCHEMBL12673084 0.84 ALDH1A1 (0.46) CA2MAPK14ALDH1A1TP53TSHR
SCHEMBL3297902 0.83 CA2 (0.42) APPCA2MAPK14HSD17B10MAPT
SCHEMBL6267008 0.82 PKM (0.51) APPCA2MAPK14LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160130230-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-12 US disclosed
US-20160130230-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-12 US disclosed
US-20160130230-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-12 US disclosed
US-9187428-B2 Substituted dicyanopyridines and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 US disclosed
US-9187428-B2 Substituted dicyanopyridines and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 US disclosed
US-9187428-B2 Substituted dicyanopyridines and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 US disclosed
US-9095582-B2 Substituted aryloxazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 US disclosed
US-9095582-B2 Substituted aryloxazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 US disclosed
US-9095582-B2 Substituted aryloxazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 US disclosed
EP-2379540-B1 DIPEPTOID PRODRUGS AND THE USE THEREOF BAYER IP GMBH (DE) 2014-10-22 EP disclosed
US-20100048641-A1 Use of Adenosine A1 and/or Dual A1/2ab Agonists for Production of Medicaments for Treating Diseases BAYER HEALTHCARE AG LAW AND PATENTS,PATENTS AND LICENSING (DE) 2010-02-25 US disclosed
EP-1812430-B1 SUBSTITUTED PHENYLAMINOTHIAZOLES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2009-04-15 EP disclosed
EP-1812430-B1 SUBSTITUTED PHENYLAMINOTHIAZOLES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2009-04-15 EP disclosed
WO-2009015776-A1 SUBSTITUTED ARYLOXAZOLES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-05 WO disclosed
US-20080269300-A1 Substituted Phenylaminothiazoles and Use Thereof BAYER HEALTHCARE AG (DE) 2008-10-30 US disclosed
US-20080269300-A1 Substituted Phenylaminothiazoles and Use Thereof BAYER HEALTHCARE AG (DE) 2008-10-30 US disclosed
US-20080269300-A1 Substituted Phenylaminothiazoles and Use Thereof BAYER HEALTHCARE AG (DE) 2008-10-30 US disclosed
WO-2007101531-A1 USE OF ADENOSINE A1 AND/OR DUAL A1/A2B AGONISTS FOR PRODUCTION OF MEDICAMENTS FOR TREATING DISEASES BAYER HEALTHCARE AG (DE) 2007-09-13 WO disclosed
EP-1812430-A1 SUBSTITUTED PHENYLAMINOTHIAZOLES AND USE THEREOF Bayer HealthCare AG (DE) 2007-08-01 EP disclosed
WO-2006027142-A1 SUBSTITUTED PHENYLAMINOTHIAZOLES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2006-03-16 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 (3 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-20100048641-A1 Use of Adenosine A1 and/or Dual A1/2ab Agonists for Production of Medicaments for Treating Diseases ADORA1, ADORA2B, ADORA2A APP 2143/4885CA2 1643/4885MAPK14 3046/4885
US-20080269300-A1 Substituted Phenylaminothiazoles and Use Thereof PAH, TNNT2, VHL APP 2121/4885CA2 3650/4885MAPK14 320/4885
US-20160130230-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF QDPR, DPYD, DDC APP 3713/4885CA2 1533/4885MAPK14 3008/4885

“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.