Aniline

Aniline

SCHEMBL914934

CCOCC.Nc1ccccc1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
TDP1 Q9NUW8 3/20 0.46
CYP3A4 P08684 4/20 0.45
TP53 P04637 2/20 0.45
ALDH1A1 P00352 2/20 0.43
MAOB P27338 7/20 0.42
MAOA P21397 6/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP1A2 P05177 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.39

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
Biphenyl-4-Amine SCHEMBL8808746 0.86 TDP1 (0.65) TSHRTDP1CYP3A4TP53ALDH1A1
Aniline SCHEMBL1767900 0.83 TSHR (0.73) TSHRTDP1CYP3A4TP53ALDH1A1
Ether SCHEMBL28632893 0.81 ALDH1A1 (0.56) TSHRTDP1CYP3A4TP53ALDH1A1
Aniline SCHEMBL27858423 0.80 TSHR (0.69) TSHRTDP1CYP3A4TP53ALDH1A1
Aniline SCHEMBL4922167 0.80 TSHR (0.69) TSHRTDP1CYP3A4TP53ALDH1A1
Aniline SCHEMBL11815890 0.80 TSHR (0.69) TSHRTDP1CYP3A4TP53ALDH1A1
Aniline SCHEMBL17710404 0.80 TSHR (0.69) TSHRTDP1CYP3A4TP53ALDH1A1
Aniline SCHEMBL27639272 0.80 TSHR (0.52) TSHRTDP1CYP3A4TP53ALDH1A1
Benzidine SCHEMBL1056565 0.79 TDP1 (0.58) TSHRTDP1CYP3A4TP53ALDH1A1
Aniline SCHEMBL2797779 0.78 TSHR (0.50) TSHRTDP1CYP3A4TP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111747977-B Arylamine ether metal complexes, and preparation method and application thereof 万华化学集团股份有限公司 2022-08-05 CN claimed
CN-111747977-A Arylamine ether metal complexes, and preparation method and application thereof 万华化学集团股份有限公司 2020-10-09 CN claimed
CN-111747977-B Arylamine ether metal complexes, and preparation method and application thereof 万华化学集团股份有限公司 2022-08-05 CN disclosed
CN-111747977-B Arylamine ether metal complexes, and preparation method and application thereof 万华化学集团股份有限公司 2022-08-05 CN disclosed
CN-111662403-B Cascade catalytic system and method for preparing LLDPE (Linear Low Density polyethylene) by using same 万华化学集团股份有限公司 2022-08-05 CN disclosed
CN-111747977-A Arylamine ether metal complexes, and preparation method and application thereof 万华化学集团股份有限公司 2020-10-09 CN disclosed
CN-111747977-A Arylamine ether metal complexes, and preparation method and application thereof 万华化学集团股份有限公司 2020-10-09 CN disclosed
CN-111662403-A Cascade catalytic system and method for preparing LLDPE (Linear Low Density polyethylene) by using same 万华化学集团股份有限公司 2020-09-15 CN disclosed
US-7872155-B2 Method of deprotection of alkyl arylamine ethers XEROX CORPORATION (US) 2011-01-18 US disclosed
US-20090131721-A1 METHOD OF DEPROTECTION OF ALKYL ARYLAMINE ETHERS XEROX CORPORATION (US) 2009-05-21 US disclosed
EP-1046654-B1 Olefin polymerization catalysts and olefin polymer production methods using said olefin polymerization catalysts JSR CORP (JP) 2005-06-29 EP disclosed
US-6525150-B1 Such as vanadium 2,2'-thiobis(6-t-butyl-4-methylphenyl) oxychloride complex, trimethylaluminum and N,N-dimethyl-anilinium tetrakis(pentafluorophenyl)borate; high degree of copolymerization JSR CORPORATION (JP) 2003-02-25 US disclosed
EP-1046654-A1 Olefin polymerization catalysts and olefin polymer production methods using said olefin polymerization catalysts JSR Corporation (JP) 2000-10-25 EP 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-20090131721-A1 METHOD OF DEPROTECTION OF ALKYL ARYLAMINE ETHERS NAT1, PNMT, AADAC TSHR 226/4885TDP1 3055/4885CYP3A4 79/4885

“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.