SCHEMBL2945434

SCHEMBL2945434

CC(C)(C)c1cc(-c2nccc3ccccc23)[nH]n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
MAPT P10636 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
GLA P06280 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TSHR P16473 2/20 0.40
HPGD P15428 2/20 0.40
CYP2A6 P11509 1/20 0.40
MAPK1 P28482 2/20 0.40
NPY5R Q15761 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37

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
SCHEMBL2948463 0.86 KDM4E (0.51) KDM4EMAPTNPC1RAB9AKMT2A
SCHEMBL15858742 0.80 PLG (0.34) KDM4EMAPTNPC1RAB9AKMT2A
SCHEMBL18503114 0.80 HPGD (0.40) NPC1RAB9AKMT2ATSHRHPGD
SCHEMBL24716058 0.79 KDM4E (0.56) KDM4EMAPTNPC1RAB9AKMT2A
SCHEMBL12717045 0.77 ADORA2A (0.45) MAPTNPC1RAB9ANPSR1TSHR
SCHEMBL19083039 0.75 KIF11 (0.38) KMT2ACYP3A4CYP2C19ALDH1A1CYP1A2
SCHEMBL15871669 0.74 GRM4 (0.38) KDM4EMAPTNPC1RAB9AKMT2A
SCHEMBL4100127 0.72 KDM4E (0.42) KDM4EMAPTNPC1RAB9AKMT2A
SCHEMBL2950568 0.71 HPGD (0.45) KDM4ENPC1RAB9AL3MBTL1TSHR
SCHEMBL12087389 0.70 KDM4E (0.57) KDM4EMAPTNPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580402-B2 Dibenzothiophene-containing materials in phosphorescent light emitting diodes UNIVERSAL DISPLAY CORPORATION (US) 2013-11-12 US disclosed
US-8288543-B2 Emissive transition-metal complexes with both carbon-phosphorus ancillary and chromophoric chelates, synthetic method of preparing the same and phosphorescent organic light emitting diode thereof NATIONAL TSING HUA UNIVERSITY (TW) 2012-10-16 US disclosed
US-8288543-B2 Emissive transition-metal complexes with both carbon-phosphorus ancillary and chromophoric chelates, synthetic method of preparing the same and phosphorescent organic light emitting diode thereof NATIONAL TSING HUA UNIVERSITY (TW) 2012-10-16 US disclosed
US-20120012829-A1 DIBENZOTHIOPHENE-CONTAINING MATERIALS IN PHOSPHORESCENT LIGHT EMITTING DIODES UNIVERSAL DISPLAY CORPORATION (US) 2012-01-19 US disclosed
US-7923521-B2 Process for preparing ortho-metallated metal compounds MERCK PATENT GMBH (DE) 2011-04-12 US disclosed
US-7923521-B2 Process for preparing ortho-metallated metal compounds MERCK PATENT GMBH (DE) 2011-04-12 US disclosed
EP-1957505-B1 PROCESS FOR PREPARING ORTHO-METALLATED METAL COMPOUNDS MERCK PATENT GMBH (DE) 2010-12-29 EP disclosed
US-7759490-B2 Phosphorescent Osmium (II) complexes and uses thereof NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2010-07-20 US disclosed
US-20090209756-A1 Emissive transition-metal complexes with both carbon-phosphorus ancillary and chromophoric chelates, synthetic method of preparing the same and phosphorescent organic light emitting diode thereof NATIONAL TSING HUA UNIVERSITY (TW) 2009-08-20 US disclosed
US-20090058281-A1 organic light emitting diodes; plasma enchanced chemical vapor deposition; metal organic chemical vapor deposition SAMSUNG DISPLAY CO., LTD. (KR) 2009-03-05 US disclosed
US-20080312396-A1 Process for Preparing Ortho-Metallated Metal Compounds UDC IRELAND LIMITED (IE) 2008-12-18 US disclosed
US-20080312396-A1 Process for Preparing Ortho-Metallated Metal Compounds UDC IRELAND LIMITED (IE) 2008-12-18 US disclosed
WO-2007065523-A1 PROCESS FOR PREPARING ORTHO-METALLATED METAL COMPOUNDS MERCK PATENT GMBH (DE) 2007-06-14 WO disclosed
US-20070001166-A1 Phosphorescent Osmium (II) complexes and uses thereof TAO YE 2007-01-04 US disclosed
US-7002013-B1 Pt complexes as phosphorescent emitters in the fabrication of organic light emitting diodes NATIONAL TSING HUA UNIVERSITY (TW) 2006-02-21 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 (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-20080312396-A1 Process for Preparing Ortho-Metallated Metal Compounds SOD1, NISCH, FHIT KDM4E 2080/4885MAPT 317/4885NPC1 4529/4885
US-20090209756-A1 Emissive transition-metal complexes with both carbon-phosphorus ancillary and chromophoric chelates, synthetic method of preparing the same and phosphorescent organic light emitting diode thereof ORC3, EML4, NCL KDM4E 3491/4885MAPT 2070/4885NPC1 1377/4885
US-20070001166-A1 Phosphorescent Osmium (II) complexes and uses thereof OCIAD2, OCIAD1, ORC3 KDM4E 4048/4885MAPT 4394/4885NPC1 1222/4885
US-20090058281-A1 organic light emitting diodes; plasma enchanced chemical vapor deposition; metal organic chemical vapor deposition SDC4, C9, SDC1 KDM4E 2031/4885MAPT 3737/4885NPC1 1083/4885

“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.