SCHEMBL92691

SCHEMBL92691

CC(C)(C)c1ccccc1N(c1ccccc1)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 1/20 0.39
CA2 P00918 1/20 0.35
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KIF11 P52732 1/20 0.31
HTT P42858 1/20 0.30
CYP2D6 P10635 1/20 0.30
ATM Q13315 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
SCHEMBL26002625 0.85 MEN1 (0.36) ALDH1A1TDP1TSHRCA2MEN1
SCHEMBL25011620 0.79 ALDH1A1 (0.41) ALDH1A1TDP1TSHRCA2MEN1
SCHEMBL29581853 0.79 ALDH1A1 (0.41) ALDH1A1TDP1TSHRCA2MEN1
SCHEMBL26002430 0.79 ALDH1A1 (0.41) ALDH1A1TDP1TSHRCA2MEN1
SCHEMBL45354 0.78 MEN1 (0.40) ALDH1A1TDP1TSHRCA2MEN1
SCHEMBL2119818 0.78 MEN1 (0.40) ALDH1A1TDP1TSHRCA2MEN1
SCHEMBL8783070 0.78 ALDH1A1 (0.40) ALDH1A1TDP1TSHRCA2MEN1
SCHEMBL21740880 0.78 ACHE (0.36) ALDH1A1TSHRMEN1KMT2ACYP3A4
SCHEMBL22169083 0.76 CYP3A4 (0.35) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL18827157 0.76 ALDH1A1 (0.39) ALDH1A1TDP1TSHRCA2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114507151-A Ester compound, preparation method and application thereof, and antioxidant composition 中国石油化工股份有限公司 2022-05-17 CN claimed
CN-114478282-A Amine compound, ester compound, preparation method and application thereof, and antioxidant composition 中国石油化工股份有限公司 2022-05-13 CN claimed
CN-114478266-A Amine compound, ester amine compound, preparation method and application thereof, and antioxidant composition 中国石油化工股份有限公司 2022-05-13 CN claimed
CN-114479987-A Amine compound and preparation method and application thereof 中国石油化工股份有限公司 2022-05-13 CN claimed
CN-114478412-A Amine compound, preparation method and application thereof, and antioxidant composition 中国石油化工股份有限公司 2022-05-13 CN claimed
CN-110878033-B Functional color reducing agent and method for stabilizing color number of diisocyanate product 万华化学集团股份有限公司 2022-04-22 CN claimed
CN-106833839-A Biodegradable gear oil composition and preparation method thereof 上海禾泰特种润滑科技股份有限公司 2017-06-13 CN claimed
US-8926083-B2 Polymerizable ink composition, ink cartridge, and inkjet printer RICOH COMPANY, LTD. (JP) 2015-01-06 US claimed
US-20140139596-A1 POLYMERIZABLE INK COMPOSITION, INK CARTRIDGE, AND INKJET PRINTER RICOH COMPANY, LTD. (JP) 2014-05-22 US claimed
JP-2011528060-A 2011-11-10 JP claimed
JP-4648308-B2 2011-03-09 JP claimed
WO-2010008694-A1 LIQUID ADDITIVES FOR THE STABILIZATION OF LUBRICANT COMPOSITIONS CHEMTURA CORPORATION (US) 2010-01-21 WO claimed
US-20100009875-A1 Liquid Additives for the Stabilization of Lubricant Compositions CHEMTURA CORPORATION (US) 2010-01-14 US claimed
EP-1656338-B1 Alkylated diphenylamines and a process for their production CHEMTURA CORP (US) 2009-05-27 EP claimed
US-7189875-B2 Diphenylamine alkylated with olefin mixtures containing fractions with varying degrees of activity CROMPTON CORPORATION (US) 2007-03-13 US claimed
JP-2006522153-A 2006-09-28 JP claimed
EP-1656338-A2 PROCESS FOR PRODUCING ALKYLATED DIPHENYLAMINES CHEMTURA CORPORATION (US) 2006-05-17 EP claimed
US-20040211113-A1 Diphenylamine alkylated with olefin mixtures containing fractions with varying degrees of activity CHEMTURA CORPORATION 2004-10-28 US claimed
WO-2004089870-A2 PROCESS FOR PRODUCING ALKYLATED DIPHENYLAMINES CROMPTON CORPORATION (US) 2004-10-21 WO claimed
US-5338478-A Mixture of diarylamine, hindered phenol and pentaerythritol diphosphite as stabilizer for polyether intermediate for polyetherurethane copolymer UNIROYAL CHEMICAL COMPANY, INC. (US) 1994-08-16 US claimed

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-20040211113-A1 Diphenylamine alkylated with olefin mixtures containing fractions with varying degrees of activity PNMT, INMT, AADAC ALDH1A1 834/4885TDP1 132/4885TSHR 4708/4885

“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.