SCHEMBL9058079

SCHEMBL9058079

C=CCc1cccc(C)c1NC(C)COC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.42
GAA P10253 1/20 0.39
ADRB2 P07550 3/20 0.37
ADRB1 P08588 3/20 0.37
LMNA P02545 3/20 0.37
CYP2D6 P10635 2/20 0.37
ADRA2C P18825 2/20 0.37
HTR1A P08908 1/20 0.37
ADRB3 P13945 1/20 0.37
SLC6A2 P23975 1/20 0.37
BDKRB2 P30411 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37
KCNH2 Q12809 1/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
ALDH1A1 P00352 5/20 0.37
TDP1 Q9NUW8 2/20 0.36

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
SCHEMBL11435587 0.86 KDM4E (0.39) KDM4EGAAADRB2ADRB1LMNA
SCHEMBL11426324 0.83 GAA (0.40) KDM4EGAAADRB2ADRB1LMNA
SCHEMBL5794071 0.82 KDM4E (0.49) KDM4EGAACYP2D6ALDH1A1TDP1
SCHEMBL3466658 0.82 KDM4E (0.49) KDM4EGAACYP2D6ALDH1A1TDP1
SCHEMBL30776762 0.82 KDM4E (0.49) KDM4EGAACYP2D6ALDH1A1TDP1
SCHEMBL3466659 0.82 KDM4E (0.49) KDM4EGAACYP2D6ALDH1A1TDP1
SCHEMBL6882581 0.82 KDM4E (0.45) KDM4ELMNACYP2D6SLC6A4HTR2B
SCHEMBL8012133 0.82 KDM4E (0.45) KDM4ELMNACYP2D6SLC6A4HTR2B
SCHEMBL4975113 0.82 KDM4E (0.45) KDM4ELMNACYP2D6SLC6A4HTR2B
SCHEMBL11426326 0.77 GAA (0.43) KDM4EGAACYP1A2ALDH1A1GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0605363-B1 Process for the preparation of 2-alkyl-6-methyl-N-(1'-methoxy-2'-propyl)-aniline and a process for the preparation of their chloracetanilides CIBA GEIGY AG (CH) 1996-06-12 EP claimed
US-5430188-A Catalytic reductive alylation of 2-alkyl-6-methyl-aniline with methoxyacetone CIBA-GEIGY CORPORATION (US) 1995-07-04 US claimed
EP-0605363-A1 Process for the preparation of 2-alkyl-6-methyl-N-(1'-methoxy-2'-propyl)-aniline and a process for the preparation of their chloracetanilides CIBA-GEIGY AG (CH) 1994-07-06 EP claimed
US-4224050-A Chloroacetanilides having a selective herbicidal activity, ortho-alkenyl-substituted anilines, intermediates in the synthesis of said herbicidal chloroacetanilides, and methods for their preparation MONTEDISON S.P.A. (IT) 1980-09-23 US claimed
JP-6263700-A None JP disclosed
EP-2892877-B1 PROCESS FOR THE PREPARATION OF (S)-2-ETHYL-N-(1-METHOXYPROPAN -2-YL)-6-METHYL ANILINE COUNCIL SCIENT IND RES (IN) 2017-06-21 EP disclosed
US-9199930-B2 Process for the preparation of (S)-2-ethyl-N-(1-methoxypropan-2-yl)-6-methyl aniline COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-12-01 US disclosed
US-20150225340-A1 PROCESS FOR THE PREPARATION OF (S)-2-ETHYL-N-(1-METHOXYPROPAN -2-YL)-6-METHYL ANILINE COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-08-13 US disclosed
EP-2892877-A1 PROCESS FOR THE PREPARATION OF (S)-2-ETHYL-N-(1-METHOXYPROPAN -2-YL)-6-METHYL ANILINE Council of Scientific and Industrial Research (IN) 2015-07-15 EP disclosed
WO-2014037962-A1 PROCESS FOR THE PREPARATION OF (S)-2-ETHYL-N-(1-METHOXYPROPAN -2-YL)-6-METHYL ANILINE COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2014-03-13 WO disclosed
CN-1039994-C Process for the preparation of 2-alkyl-6-methyl-N-(1'-methoxy-2'-propyl)-aniline and a process for the preparation of their chloracetanilides NOVARTIS CO (CH) 1998-09-30 CN disclosed
CN-1039994-C Process for the preparation of 2-alkyl-6-methyl-N-(1'-methoxy-2'-propyl)-aniline and a process for the preparation of their chloracetanilides NOVARTIS CO (CH) 1998-09-30 CN disclosed
EP-0605363-B1 Process for the preparation of 2-alkyl-6-methyl-N-(1'-methoxy-2'-propyl)-aniline and a process for the preparation of their chloracetanilides CIBA GEIGY AG (CH) 1996-06-12 EP disclosed
US-5430188-A Catalytic reductive alylation of 2-alkyl-6-methyl-aniline with methoxyacetone CIBA-GEIGY CORPORATION (US) 1995-07-04 US disclosed
US-5430188-A Catalytic reductive alylation of 2-alkyl-6-methyl-aniline with methoxyacetone CIBA-GEIGY CORPORATION (US) 1995-07-04 US disclosed
US-5430188-A Catalytic reductive alylation of 2-alkyl-6-methyl-aniline with methoxyacetone CIBA-GEIGY CORPORATION (US) 1995-07-04 US disclosed
JP-H06263700-A 2-ALKYL-6-METHYL-N-(1'-METHOXY-2'-PROPYL)ANILINE AND PREPARATION OF CHLOROACETANILIDE THEREOF CIBA GEIGY AG 1994-09-20 JP disclosed
EP-0605363-A1 Process for the preparation of 2-alkyl-6-methyl-N-(1'-methoxy-2'-propyl)-aniline and a process for the preparation of their chloracetanilides CIBA-GEIGY AG (CH) 1994-07-06 EP disclosed
EP-0605363-A1 Process for the preparation of 2-alkyl-6-methyl-N-(1'-methoxy-2'-propyl)-aniline and a process for the preparation of their chloracetanilides CIBA-GEIGY AG (CH) 1994-07-06 EP disclosed
EP-0605363-A1 Process for the preparation of 2-alkyl-6-methyl-N-(1'-methoxy-2'-propyl)-aniline and a process for the preparation of their chloracetanilides CIBA-GEIGY AG (CH) 1994-07-06 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-20150225340-A1 PROCESS FOR THE PREPARATION OF (S)-2-ETHYL-N-(1-METHOXYPROPAN -2-YL)-6-METHYL ANILINE AZI2, HTR2A, HTR1B KDM4E 205/4885GAA 4427/4885ADRB2 32/4885

“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.