SCHEMBL812329

SCHEMBL812329

[C-]#[N+]c1cc(/C=C/c2ccc(C)cc2)c(C#N)cc1/C=C/c1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 7/20 0.39
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
ALOX5 P09917 1/20 0.36
FGF23 Q9GZV9 2/20 0.35
RELA Q04206 1/20 0.34
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33
TUBB6 Q9BUF5 1/20 0.33
TUBB2B Q9BVA1 1/20 0.33

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
SCHEMBL823205 0.86 NFE2L2 (0.49) NFE2L2PTGS1PTGS2ALOX5FGF23
SCHEMBL12202183 0.85 ALDH1A1 (0.38) NFE2L2ALDH1A1HPGDALOX12L3MBTL1
SCHEMBL11953118 0.82 TTK (0.36) ALOX5ALDH1A1HPGDSRCKDM4E
SCHEMBL9915635 0.80 APP (0.38) RELAALDH1A1HPGDALOX12L3MBTL1
SCHEMBL12258640 0.78 PTGS1 (0.35) NFE2L2PTGS1PTGS2FGF23
SCHEMBL22017427 0.77 NFE2L2 (0.41) NFE2L2PTGS1PTGS2ALOX5FGF23
SCHEMBL14436658 0.77 NFE2L2 (0.41) NFE2L2PTGS1PTGS2ALOX5FGF23
SCHEMBL12230307 0.73 NR1H3 (0.36) NFE2L2FGF23RELACYP1A2
SCHEMBL30657688 0.73 NFE2L2 (0.58) NFE2L2PTGS1PTGS2ALOX5FGF23
SCHEMBL14436656 0.72 APP (0.44) NFE2L2FGF23RELAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130027636-A1 CLASS OF BRIDGED BIPHENYLENE POLYMERS SUMITOMO CHEMICAL CO., LTD. (JP) 2013-01-31 US disclosed
US-20120264977-A1 TRIARYLAMINE CONTAINING POLYMERS AND ELECTRONIC DEVICES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-18 US disclosed
US-8247800-B2 Triarylamine containing polymers and electronic devices SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-21 US disclosed
US-20120010359-A1 SALICYLATE SUBSTITUTED CONJUGATED POLYMERS AND DEVICES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-12 US disclosed
US-8052894-B2 Salicylate substituted conjugated polymers and devices SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-08 US disclosed
US-20090066224-A1 DICARBAZOLE AROMATIC AMINE POLYMERS AND ELECTRONIC DEVICES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-12 US disclosed
US-20090001324-A1 Salicylate Substituted Conjugated Polymers and Devices SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-01 US disclosed
US-20080011353-A1 Triarylamine Containing Polymers and Electronic Devices SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-01-17 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-20090066224-A1 DICARBAZOLE AROMATIC AMINE POLYMERS AND ELECTRONIC DEVICES NAT1, SAT1, RIF1 NFE2L2 2481/4885PTGS1 3349/4885PTGS2 4613/4885
US-20120264977-A1 TRIARYLAMINE CONTAINING POLYMERS AND ELECTRONIC DEVICES NAT1, AHR, AR NFE2L2 1694/4885PTGS1 4545/4885PTGS2 4604/4885
US-20090001324-A1 Salicylate Substituted Conjugated Polymers and Devices TLR9, TLR5, TLR1 NFE2L2 3094/4885PTGS1 96/4885PTGS2 161/4885

“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.