SCHEMBL10038680

SCHEMBL10038680

[C-]#[N+]c1ccc(N(c2ccccc2)c2cc3c4ccccc4c(N(c4ccccc4)c4ccc(C#N)cc4)cc3c3ccccc23)cc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
KDM1A O60341 2/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31

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
SCHEMBL10038686 0.97 ABCG2 (0.32) ABCG2KEAP1NFE2L2TSHRKDM1A
SCHEMBL10038673 0.91 ALDH1A1 (0.39) ABCG2
SCHEMBL10038685 0.89 ALDH1A1 (0.31) ABCG2
SCHEMBL12887587 0.89 CA1 (0.35) ABCG2MEN1NPC1KMT2ACA1
SCHEMBL10068520 0.89 TSHR (0.42) ABCG2KEAP1NFE2L2TSHRMEN1
SCHEMBL10038684 0.88 RORC (0.33) ABCG2
SCHEMBL10068693 0.86 TSHR (0.40) ABCG2KEAP1NFE2L2TSHRCRHBP
SCHEMBL13720708 0.84 TSHR (0.43) ABCG2TSHRMEN1NPC1KMT2A
SCHEMBL22744834 0.83 TSHR (0.37) ABCG2KEAP1NFE2L2TSHRMEN1
SCHEMBL11886621 0.83 ABCG2 (0.33) ABCG2KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170256722-A1 A HOLE TRANSPORT MATERIAL AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2017-09-07 US disclosed
US-20170162801-A1 ELECTRON BUFFERING MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2017-06-08 US disclosed
US-20170005276-A1 ELECTRON BUFFERING MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-01-05 US disclosed
US-9368728-B2 Material for organic electroluminescence device, and organic electroluminescence device UDC IRELAND LIMITED (IE) 2016-06-14 US disclosed
US-20140346406-A1 ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE ORGANIC ELECTROLUMINESCENT COMPOUNDS ROHM & HAAS ELECT MAT (KR) 2014-11-27 US disclosed
US-20120013244-A1 ORGANIC LUMINESCENT MEDIUM IDEMITSU KOSAN CO., LTD. 2012-01-19 US disclosed
US-20110260604-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, AND ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2011-10-27 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 (5 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-20170162801-A1 ELECTRON BUFFERING MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE SLC9A2, SLC9B2, SLC26A3 ABCG2 2272/4885KEAP1 2220/4885NFE2L2 364/4885
US-20110260604-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, AND ORGANIC ELECTROLUMINESCENCE DEVICE EML4, VCL, DNMT3L ABCG2 4774/4885KEAP1 530/4885NFE2L2 592/4885
US-20120013244-A1 ORGANIC LUMINESCENT MEDIUM ANXA1, ANXA11, GLB1 ABCG2 77/4885KEAP1 1639/4885NFE2L2 510/4885
US-20170256722-A1 A HOLE TRANSPORT MATERIAL AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME HTT, VDAC1, VAPA ABCG2 3133/4885KEAP1 587/4885NFE2L2 655/4885
US-20170005276-A1 ELECTRON BUFFERING MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE SLC9A2, SOD1, SLC9B2 ABCG2 3802/4885KEAP1 1781/4885NFE2L2 236/4885

“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.