SCHEMBL809501

SCHEMBL809501

CCC(CC)Nc1ccc(Nc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.61
HSD17B10 Q99714 5/20 0.61
ALOX12 P18054 5/20 0.61
ALOX15 P16050 4/20 0.61
TSHR P16473 4/20 0.61
CYP3A4 P08684 4/20 0.61
TDP1 Q9NUW8 4/20 0.61
L3MBTL1 Q9Y468 4/20 0.61
THRB P10828 2/20 0.61
LMNA P02545 2/20 0.61
RECQL P46063 1/20 0.61
ATM Q13315 1/20 0.61
MAPK1 P28482 3/20 0.56
HIF1A Q16665 2/20 0.56
PTGS1 P23219 1/20 0.54
SLC6A2 P23975 1/20 0.54
PTGS2 P35354 1/20 0.54
HTR2B P41595 1/20 0.54
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51

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
SCHEMBL2495982 0.91 TDP1 (0.54) ALDH1A1HSD17B10ALOX12ALOX15TSHR
Methane SCHEMBL28523284 0.89 TDP1 (0.52) ALDH1A1HSD17B10ALOX12ALOX15TSHR
Hydrochloric Acid SCHEMBL17710412 0.89 TDP1 (0.52) ALDH1A1HSD17B10ALOX12ALOX15TSHR
SCHEMBL1849752 0.89 ALDH1A1 (0.53) ALDH1A1HSD17B10ALOX12ALOX15TSHR
SCHEMBL9468187 0.86 ALDH1A1 (0.50) ALDH1A1HSD17B10ALOX12ALOX15TSHR
SCHEMBL9468154 0.86 ALDH1A1 (0.56) ALDH1A1HSD17B10ALOX12ALOX15TSHR
SCHEMBL8159205 0.84 ALDH1A1 (0.53) ALDH1A1HSD17B10ALOX12ALOX15TSHR
SCHEMBL7937151 0.84 TDP1 (0.59) ALDH1A1HSD17B10ALOX12ALOX15TSHR
SCHEMBL809184 0.83 ALDH1A1 (0.49) ALDH1A1HSD17B10ALOX12ALOX15TSHR
SCHEMBL93902 0.82 ALDH1A1 (0.72) ALDH1A1HSD17B10ALOX12ALOX15TSHR

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 28 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
EP-0617004-A1 Preparation of N-substituted-N'-phenyl-P-phenylenediamines THE GOODYEAR TIRE & RUBBER COMPANY (US) 1994-09-28 EP 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 ALDH1A1 663/4885HSD17B10 2077/4885ALOX12 11/4885

“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.