SCHEMBL126369

SCHEMBL126369

[C-]#[N+]c1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5ccc(C#N)cc5)ccc5ccc2c3c54)cc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30

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
SCHEMBL126191 0.95
SCHEMBL10353959 0.94 ABCG2 (0.35) PTGDR2ABCG2
SCHEMBL10010771 0.91 MEN1 (0.32) MEN1NPC1KMT2A
SCHEMBL10038743 0.90 PTGDR2 (0.31) CRHBPCRHR2PTGDR2
SCHEMBL10038725 0.90 PTGDR2 (0.31) PTGDR2
SCHEMBL10010543 0.90 ABCG2 (0.33) ABCG2
SCHEMBL12575857 0.90 SCN9A (0.32) PTGDR2
SCHEMBL179175 0.89 TSHR (0.39) CRHBPCRHR2PTGDR2ABCG2MEN1
SCHEMBL30666022 0.89 TSHR (0.39) CRHBPCRHR2PTGDR2ABCG2MEN1
SCHEMBL10038745 0.89 PTGDR2 (0.30) PTGDR2

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 44 patents — showing the first 20. 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-9708262-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2017-07-18 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-20170155062-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-06-01 US disclosed
US-20170125686-A1 Materials for Electronic Devices MERCK PATENT GMBH (DE) 2017-05-04 US disclosed
US-20170104165-A1 MATERIALS FOR ELECTRONIC DEVICES UDC IRELAND LIMITED (IE) 2017-04-13 US disclosed
US-9608208-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2017-03-28 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-9517977-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2016-12-13 US disclosed
US-9478762-B2 Organic electroluminescent device MERCK PATENT GMBH (DE) 2016-10-25 US disclosed
US-20120319052-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-12-20 US disclosed
US-20120292576-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-11-22 US disclosed
US-20120217449-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-08-30 US disclosed
US-20120211701-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-08-23 US disclosed
US-20120187349-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-07-26 US disclosed
US-20120181922-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2012-07-19 US disclosed
US-20120091885-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME Rohm and Haas Electronic Materials Korea Let. (KR) 2012-04-19 US disclosed
US-20120056165-A1 ORGANIC LUMINESCENT MEDIUM IDEMITSU KOSAN CO., LTD. 2012-03-08 US disclosed
US-20120013244-A1 ORGANIC LUMINESCENT MEDIUM IDEMITSU KOSAN CO., LTD. 2012-01-19 US disclosed
US-20110297923-A1 Aromatic amine derivative and organic electroluminescent element using same IDEMITSU KOSAN CO., LTD. 2011-12-08 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 (14 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 CRHBP 2400/4885CRHR2 4096/4885PTGDR2 4201/4885
US-20120013244-A1 ORGANIC LUMINESCENT MEDIUM ANXA1, ANXA11, GLB1 CRHBP 4275/4885CRHR2 4817/4885PTGDR2 3188/4885
US-20170256722-A1 A HOLE TRANSPORT MATERIAL AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME HTT, VDAC1, VAPA CRHBP 3648/4885CRHR2 3936/4885PTGDR2 4764/4885
US-20120187349-A1 MATERIALS FOR ELECTRONIC DEVICES SLC26A3, SLCO4C1, SLCO2A1 CRHBP 3623/4885CRHR2 3763/4885PTGDR2 3343/4885
US-20170104165-A1 MATERIALS FOR ELECTRONIC DEVICES EFNA1, CYP2C19, SDHB CRHBP 4136/4885CRHR2 3611/4885PTGDR2 1546/4885
US-20120217449-A1 MATERIALS FOR ELECTRONIC DEVICES EFNA1, DDT, ERCC1 CRHBP 3788/4885CRHR2 3924/4885PTGDR2 2722/4885
US-20170155062-A1 COMPOUNDS FOR ELECTRONIC DEVICES CYP1B1, CYP1A1, CYP2E1 CRHBP 4047/4885CRHR2 2343/4885PTGDR2 800/4885
US-20110297923-A1 Aromatic amine derivative and organic electroluminescent element using same H1-4, H1-2, H1-0 CRHBP 2854/4885CRHR2 890/4885PTGDR2 3624/4885
US-20120211701-A1 MATERIALS FOR ELECTRONIC DEVICES XPOT, ETV6, ERCC1 CRHBP 4019/4885CRHR2 2840/4885PTGDR2 1527/4885
US-20170005276-A1 ELECTRON BUFFERING MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE SLC9A2, SOD1, SLC9B2 CRHBP 2049/4885CRHR2 4164/4885PTGDR2 4551/4885
US-20120292576-A1 COMPOUNDS FOR ELECTRONIC DEVICES SLCO4C1, SLCO1A2, SLCO2A1 CRHBP 2957/4885CRHR2 3636/4885PTGDR2 1863/4885
US-20170125686-A1 Materials for Electronic Devices SDHA, SDHB, DDT CRHBP 4261/4885CRHR2 4271/4885PTGDR2 1010/4885
US-20120319052-A1 COMPOUNDS FOR ELECTRONIC DEVICES CYP1B1, CYP1A1, CYP2E1 CRHBP 4047/4885CRHR2 2343/4885PTGDR2 800/4885
US-20120091885-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME OCIAD1, OCIAD2, ODC1 CRHBP 4539/4885CRHR2 4797/4885PTGDR2 3205/4885

“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.