SCHEMBL1011737

SCHEMBL1011737

CCCCCCCCCC[PH](C)(C)CCCCCCCC

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
THRB P10828 1/20 0.53
DNM1 Q05193 7/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 1/20 0.40
SLC22A1 O15245 1/20 0.40
EPHX1 P07099 1/20 0.40

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
SCHEMBL11414639 1.00 TSHR (0.53) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL7909080 1.00 TSHR (0.53) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL11897687 1.00 TSHR (0.53) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL3761314 1.00 TSHR (0.53) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL5834610 1.00 TSHR (0.53) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL4818012 1.00 TSHR (0.53) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL11897647 1.00 TSHR (0.53) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL428085 1.00 TSHR (0.53) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL11081456 1.00 TSHR (0.53) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL5570759 1.00 TSHR (0.53) TSHRTHRBDNM1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960345-B1 ALKYLATION OF N' -PHENYL-N-ALKYLPHENYLENEDIAMINES IN IONIC LIQUID, AND N' -PHENYL-N-ALKYL(ALKYLPHENYLENE) DIAMINES PRODUCED THEREBY CHEMTURA CORP (US) 2014-11-19 EP claimed
US-7563929-B2 Alkylation of N′-phenyl-N-alkylphenylenediamines in ionic liquid and N′-phenyl-N-alkyl(alkylphenylene) diamines produced thereby CHEMTURA CORPORATION (US) 2009-07-21 US claimed
US-20080234517-A1 ALKYLATION OF N'-PHENYL-N-ALKYLPHENYLENEDIAMINES IN IONIC LIQUID AND N'-PHENYL-N-ALKYL(ALKYLPHENYLENE) DIAMINES PRODUCED THEREBY CHEMTURA CORPORATION (US) 2008-09-25 US claimed
EP-1960345-A1 ALKYLATION OF N' -PHENYL-N-ALKYLPHENYLENEDIAMINES IN IONIC LIQUID, N' -PHENYL-N-ALKYL(ALKYLPHENYLENE) DIAMINES PRODUCED THEREBY, AND LUBRICANT COMPOSITIONS CONTAINING SAME CHEMTURA CORPORATION (US) 2008-08-27 EP claimed
WO-2007070282-A1 ALKYLATION OF N' -PHENYL-N-ALKYLPHENYLENEDIAMINES IN IONIC LIQUID, N' -PHENYL-N-ALKYL(ALKYLPHENYLENE) DIAMINES PRODUCED THEREBY, AND LUBRICANT COMPOSITIONS CONTAINING SAME CHEMTURA CORPORATION (US) 2007-06-21 WO claimed
US-20070135657-A1 Alkylation of N'-phenyl-N-alkylphenylenediamines in ionic liquid, N'-phenyl-N-alkyl (alkylphenylene) diamines produced thereby, and lubricant compositions containing same LANXESS SOLUTIONS US INC. 2007-06-14 US claimed
EP-1960345-B1 ALKYLATION OF N' -PHENYL-N-ALKYLPHENYLENEDIAMINES IN IONIC LIQUID, AND N' -PHENYL-N-ALKYL(ALKYLPHENYLENE) DIAMINES PRODUCED THEREBY CHEMTURA CORP (US) 2014-11-19 EP disclosed
EP-1963253-B1 RING ALKYLATION OF ANILINE OR AN ANILINE DERIVATIVE USING IONIC LIQUID CATALYSTS CHEMTURA CORP (US) 2011-01-05 EP disclosed
EP-1960344-B1 ALKYLATION OF A DIPHENYLAMINE COMPOUND IN IONIC LIQUID CHEMTURA CORP (US) 2010-09-29 EP disclosed
US-7563929-B2 Alkylation of N′-phenyl-N-alkylphenylenediamines in ionic liquid and N′-phenyl-N-alkyl(alkylphenylene) diamines produced thereby CHEMTURA CORPORATION (US) 2009-07-21 US disclosed
US-20080234517-A1 ALKYLATION OF N'-PHENYL-N-ALKYLPHENYLENEDIAMINES IN IONIC LIQUID AND N'-PHENYL-N-ALKYL(ALKYLPHENYLENE) DIAMINES PRODUCED THEREBY CHEMTURA CORPORATION (US) 2008-09-25 US disclosed
EP-1960345-A1 ALKYLATION OF N' -PHENYL-N-ALKYLPHENYLENEDIAMINES IN IONIC LIQUID, N' -PHENYL-N-ALKYL(ALKYLPHENYLENE) DIAMINES PRODUCED THEREBY, AND LUBRICANT COMPOSITIONS CONTAINING SAME CHEMTURA CORPORATION (US) 2008-08-27 EP disclosed
US-7390928-B2 Alkylation of N′-phenyl-N-alkylphenylenediamines in ionic liquid, N′-phenyl-N-alkyl (alkylphenylene) diamines produced thereby, and lubricant compositions containing same CHEMTURA CORPORATION (US) 2008-06-24 US disclosed
US-7378554-B2 Ring alkylation of aniline or an aniline derivative using ionic liquid catalysts CHEMTURA CORPORATION (US) 2008-05-27 US disclosed
WO-2007070282-A1 ALKYLATION OF N' -PHENYL-N-ALKYLPHENYLENEDIAMINES IN IONIC LIQUID, N' -PHENYL-N-ALKYL(ALKYLPHENYLENE) DIAMINES PRODUCED THEREBY, AND LUBRICANT COMPOSITIONS CONTAINING SAME CHEMTURA CORPORATION (US) 2007-06-21 WO disclosed
US-20070135656-A1 Ring alkylation of aniline or an aniline derivative using ionic liquid catalysts LANXESS SOLUTIONS US INC. 2007-06-14 US disclosed
US-20070135657-A1 Alkylation of N'-phenyl-N-alkylphenylenediamines in ionic liquid, N'-phenyl-N-alkyl (alkylphenylene) diamines produced thereby, and lubricant compositions containing same LANXESS SOLUTIONS US INC. 2007-06-14 US disclosed
US-7145038-B1 Alkylation of a diphenylamine compound in ionic liquid CHEMTURA CORPORATION (US) 2006-12-05 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 (2 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-20080234517-A1 ALKYLATION OF N'-PHENYL-N-ALKYLPHENYLENEDIAMINES IN IONIC LIQUID AND N'-PHENYL-N-ALKYL(ALKYLPHENYLENE) DIAMINES PRODUCED THEREBY PNMT, PNN, INMT TSHR 3548/4885THRB 3980/4885DNM1 3969/4885
US-20070135657-A1 Alkylation of N'-phenyl-N-alkylphenylenediamines in ionic liquid, N'-phenyl-N-alkyl (alkylphenylene) diamines produced thereby, and lubricant compositions containing same NAPEPLD, PNN, ACR TSHR 3790/4885THRB 4531/4885DNM1 2800/4885

“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.