SCHEMBL550080

SCHEMBL550080

C=Cc1ccc(-c2cccc(-c3ccccn3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.47
TLR2 O60603 1/20 0.47
CYP2A6 P11509 1/20 0.42
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 3/20 0.41
CCR1 P32246 2/20 0.41
CCR5 P51681 2/20 0.41
CCR8 P51685 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
METAP1 P53582 1/20 0.41
BLM P54132 1/20 0.41
HIF1A Q16665 1/20 0.41
DOHH Q9BU89 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALPL P05186 1/20 0.40

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
SCHEMBL23729067 0.92 TLR4 (0.41) TLR4TLR2CYP2A6HTR1AHTR7
SCHEMBL17127133 0.90 KDM4E (0.43) TLR4TLR2CYP2A6KDM4ELMNA
SCHEMBL10022089 0.89 TLR4 (0.55) TLR4TLR2CYP2A6HTR1AHTR7
SCHEMBL550707 0.88 KDM4E (0.48) CYP2A6KDM4ELMNACCR1CCR5
SCHEMBL10022088 0.87 TLR4 (0.50) TLR4TLR2CYP2A6HTR1AHTR7
SCHEMBL30772294 0.86 KDM4E (0.50) CYP2A6KDM4ELMNACCR1CCR5
SCHEMBL99284 0.86 KDM4E (0.50) CYP2A6KDM4ELMNACCR1CCR5
SCHEMBL30903581 0.85 TLR4 (0.57) TLR4TLR2CYP2A6HTR1AHTR7
SCHEMBL2887508 0.85 CYP2A6 (0.46) TLR4TLR2CYP2A6KDM4ELMNA
SCHEMBL7120047 0.85 TLR4 (0.57) TLR4TLR2CYP2A6HTR1AHTR7

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
EP-2160776-B1 PHOSPHORESCENT POLYMER COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICES MANUFACTURED THEREWITH SHOWA DENKO KK (JP) 2014-09-03 EP disclosed
US-8441003-B2 Phosphorescent polymer compound based on iridium polymer complex and organic electroluminescent device utilizing the same SHOWA DENKO K.K. (JP) 2013-05-14 US disclosed
US-8441003-B2 Phosphorescent polymer compound based on iridium polymer complex and organic electroluminescent device utilizing the same SHOWA DENKO K.K. (JP) 2013-05-14 US disclosed
US-8110642-B2 Synthesis of vinylphenylpyridine and living anionic polymerization GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-02-07 US disclosed
US-8110642-B2 Synthesis of vinylphenylpyridine and living anionic polymerization GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-02-07 US disclosed
US-8110642-B2 Synthesis of vinylphenylpyridine and living anionic polymerization GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-02-07 US disclosed
EP-1753839-B1 POLYMER LIGHT-EMITTING MATERIAL AND ORGANIC LIGHT EMITTING ELEMENT SHOWA DENKO KK (JP) 2011-07-20 EP disclosed
US-20100213445-A1 PHOSPHORESCENT POLYMER COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICES MANUFACTURED THEREWITH SHOWA DENKO K.K. (JP) 2010-08-26 US disclosed
US-20100213445-A1 PHOSPHORESCENT POLYMER COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICES MANUFACTURED THEREWITH SHOWA DENKO K.K. (JP) 2010-08-26 US disclosed
US-20090105416-A1 Synthesis of Vinylphenylpyridine and Living Anionic Polymerization GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-04-23 US disclosed
US-20090105416-A1 Synthesis of Vinylphenylpyridine and Living Anionic Polymerization GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-04-23 US disclosed
US-20090105416-A1 Synthesis of Vinylphenylpyridine and Living Anionic Polymerization GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-04-23 US disclosed
WO-2009001953-A1 PHOSPHORESCENT POLYMER COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICES MANUFACTURED THEREWITH SHOWA DENKO K.K. (JP) 2008-12-31 WO disclosed
US-20080050604-A1 Polymer Light-Emitting Material and Organic Light Emitting Element SHOWA DENKO K.K. (JP) 2008-02-28 US disclosed
US-20080050604-A1 Polymer Light-Emitting Material and Organic Light Emitting Element SHOWA DENKO K.K. (JP) 2008-02-28 US disclosed
WO-2007129810-A1 SYNTHESIS OF VINYLPHENYLPYRIDINE AND LIVING ANIONIC POLYMERIZATION GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2007-11-15 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 (1 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-20090105416-A1 Synthesis of Vinylphenylpyridine and Living Anionic Polymerization PBRM1, MVD, PCBP1 TLR4 307/4885TLR2 753/4885CYP2A6 1144/4885

“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.