SCHEMBL133433

SCHEMBL133433

[C-]#[N+]c1cccc(-c2cc(C(=O)c3cc(-c4cccc(C#N)c4)cc(-c4cccc(C#N)c4)c3)cc(-c3cccc(C#N)c3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.44
SLC22A12 Q96S37 1/20 0.44
KAT6A Q92794 1/20 0.43
IKBKB O14920 1/20 0.43
CHUK O15111 1/20 0.43
CLK4 Q9HAZ1 1/20 0.41
IDO1 P14902 2/20 0.40
PTPN5 P54829 1/20 0.39
GSK3B P49841 2/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
GRK6 P43250 1/20 0.37
SLC6A7 Q99884 1/20 0.37
PGR P06401 1/20 0.36
F11 P03951 1/20 0.36
PIN1 Q13526 1/20 0.36

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
SCHEMBL254013 0.87 XDH (0.54) XDHSLC22A12KAT6AIKBKBCHUK
SCHEMBL12551570 0.81 CLK4 (0.40) XDHSLC22A12CLK4IDO1PTPN5
SCHEMBL12551484 0.81 CLK4 (0.44) XDHSLC22A12CLK4IDO1GRK6
SCHEMBL11930765 0.80 CLK4 (0.53) CLK4IDO1
SCHEMBL11930766 0.79 CLK4 (0.54) CLK4IDO1
SCHEMBL13170818 0.76 PTPN5 (0.41) XDHSLC22A12CLK4PTPN5PGR
SCHEMBL12551392 0.76 GRM5 (0.38) PGR
SCHEMBL13171051 0.76 ADRA2C (0.41) XDHSLC22A12CLK4PTPN5
SCHEMBL29953534 0.75 ENPP2 (0.44) CLK4IDO1GSK3B
SCHEMBL3594003 0.75 ENPP2 (0.44) CLK4IDO1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9735385-B2 Organic electroluminescence device MERCK PATENT GMBH (DE) 2017-08-15 US disclosed
US-9653687-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-05-16 US disclosed
US-20170077418-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2017-03-16 US disclosed
US-20160315268-A1 ORGANIC ELECTROLUMINESCENT DEVICE WITH THERMALLY ACTIVATED DELAYED FLUORESCENCE MATERIAL MERCK PATENT GMBH (DE) 2016-10-27 US disclosed
US-9444064-B2 Organic electroluminescent device MERCK PATENT GMBH (DE) 2016-09-13 US disclosed
US-20160240782-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2016-08-18 US disclosed
US-9356242-B2 Organic electroluminescent device MERCK PATENT GMBH (DE) 2016-05-31 US disclosed
US-20160093812-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2016-03-31 US disclosed
US-9236578-B2 Organic electroluminescent device MERCK PATENT GMBH (DE) 2016-01-12 US disclosed
US-20150295184-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2015-10-15 US disclosed
US-8941297-B2 Organic electroluminescent device MERCK PATENT GMBH (DE) 2015-01-27 US disclosed
US-20130228767-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK 2013-09-05 US disclosed
US-20130200357-A1 FORMULATIONS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2013-08-08 US disclosed
US-20130168663-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2013-07-04 US disclosed
US-20130049579-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2013-02-28 US disclosed
US-20120056169-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH PATENTS & SCIENTIFIC INFORMATION (DE) 2012-03-08 US disclosed
US-20120037896-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2012-02-16 US disclosed
US-20110284831-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-11-24 US disclosed
US-20110140043-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-06-16 US disclosed
US-20110108818-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-05-12 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 (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-20170077418-A1 ORGANIC ELECTROLUMINESCENT DEVICE EPCAM, L1CAM, LAGE3 XDH 3284/4885SLC22A12 2248/4885KAT6A 1993/4885
US-20110140043-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE L1CAM, SLCO4C1, GJA1 XDH 2181/4885SLC22A12 198/4885KAT6A 777/4885
US-20160240782-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE L1CAM, SLCO4C1, GJA1 XDH 2181/4885SLC22A12 198/4885KAT6A 777/4885

“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.