SCHEMBL809599

SCHEMBL809599

CCCCCCCCCCNc1ccc(Nc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 4/20 0.63
ALDH1A1 P00352 5/20 0.57
MAPT P10636 4/20 0.57
EPHX1 P07099 3/20 0.50
HTT P42858 1/20 0.50
ABL1 P00519 1/20 0.49
ALOX12 P18054 2/20 0.48
HSD17B10 Q99714 2/20 0.48
MAPK1 P28482 2/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
PTGS2 P35354 1/20 0.48
HTR2B P41595 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 1/20 0.46
HPGD P15428 2/20 0.45
NAAA Q02083 1/20 0.45

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
SCHEMBL809968 1.00 KCNH3 (0.63) KCNH3ALDH1A1MAPTEPHX1HTT
SCHEMBL1851794 1.00 KCNH3 (0.63) KCNH3ALDH1A1MAPTEPHX1HTT
SCHEMBL1851675 1.00 KCNH3 (0.63) KCNH3ALDH1A1MAPTEPHX1HTT
SCHEMBL1850990 1.00 KCNH3 (0.63) KCNH3ALDH1A1MAPTEPHX1HTT
SCHEMBL809713 1.00 KCNH3 (0.63) KCNH3ALDH1A1MAPTEPHX1HTT
SCHEMBL809502 0.98 KCNH3 (0.65) KCNH3ALDH1A1MAPTEPHX1HTT
SCHEMBL1849170 0.92 ALDH1A1 (0.61) KCNH3ALDH1A1MAPTHTTALOX12
SCHEMBL2732291 0.92 ALDH1A1 (0.67) KCNH3ALDH1A1MAPTEPHX1HTT
SCHEMBL177298 0.92 ALDH1A1 (0.67) KCNH3ALDH1A1MAPTEPHX1HTT
SCHEMBL2888362 0.92 ALDH1A1 (0.67) KCNH3ALDH1A1MAPTEPHX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8062551-B2 Antiozonant blends CHEMTURA CORPORATION (US) 2011-11-22 US claimed
EP-2013273-B1 ANTIOZONANT BLENDS CHEMTURA CORP (US) 2011-11-16 EP claimed
WO-2011130994-A1 MULTI-USER CHANNEL ESTIMATION METHOD AND DEVICE 中兴通讯股份有限公司 (CN) 2011-10-27 WO claimed
EP-1976821-B1 DIRECT ALKYLATION OF N-ALKYL-N'-PHENYL-P-PHENYLENEDIAMINE CHEMTURA CORP (US) 2011-05-25 EP claimed
EP-2013273-A1 ANTIOZONANT BLENDS CHEMTURA CORPORATION (US) 2009-01-14 EP claimed
EP-1976821-A1 DIRECT ALKYLATION OF N-ALKYL-N'-PHENYL-P-PHENYLENEDIAMINE CHEMTURA CORPORATION (US) 2008-10-08 EP claimed
US-7361788-B2 Direct alkylation of N-alkyl-N′-phenyl-p-phenylenediamine CHEMTURA CORPORATION (US) 2008-04-22 US claimed
WO-2007130262-A1 ANTIOZONANT BLENDS CHEMTURA CORPORATION (US) 2007-11-15 WO claimed
US-20070260000-A1 Antiozonant blends ADDIVANT USA, LLC 2007-11-08 US claimed
WO-2007087195-A1 DIRECT ALKYLATION OF N-ALKYL-N'-PHENYL-P-PHENYLENEDIAMINE CHEMTURA CORPORATION (US) 2007-08-02 WO claimed
US-20070173668-A1 Direct alkylation of N-alkyl-N'-phenyl-p-phenylenediamine LANXESS SOLUTIONS US INC. 2007-07-26 US claimed
US-8062551-B2 Antiozonant blends CHEMTURA CORPORATION (US) 2011-11-22 US disclosed
EP-2013273-B1 ANTIOZONANT BLENDS CHEMTURA CORP (US) 2011-11-16 EP disclosed
WO-2011130994-A1 MULTI-USER CHANNEL ESTIMATION METHOD AND DEVICE 中兴通讯股份有限公司 (CN) 2011-10-27 WO disclosed
EP-1976821-B1 DIRECT ALKYLATION OF N-ALKYL-N'-PHENYL-P-PHENYLENEDIAMINE CHEMTURA CORP (US) 2011-05-25 EP disclosed
US-5260246-A Comprising alkali metal/alkaline earth hypophosphites and amine or benzotriazole cocatalysts INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1993-11-09 US disclosed
EP-0446554-B1 PREPARATION OF A N-SUBSTITUTED PHENYLENEDIAMINE THE GOODYEAR TIRE & RUBBER COMPANY (US) 1993-10-13 EP disclosed
US-5068439-A Chemical intermediates for dyes, drugs, agricultural products and as antoxidants or stabilizers for rubbers THE GOODYEAR TIRE & RUBBER COMPANY (US) 1991-11-26 US disclosed
EP-0446554-A1 Preparation of a N-substituted phenylenediamine THE GOODYEAR TIRE & RUBBER COMPANY (US) 1991-09-18 EP disclosed
US-4968843-A FROM 4-HYDROXYDIPHENYLAMINE; EXCELLENT YIELDS OF HIGH PURITY THE GOODYEAR TIRE & RUBBER COMPANY (US) 1990-11-06 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 (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-20070173668-A1 Direct alkylation of N-alkyl-N'-phenyl-p-phenylenediamine PNMT, AAAS, PNN KCNH3 488/4885ALDH1A1 663/4885MAPT 2244/4885

“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.