Diethylaniline

Diethylaniline

SCHEMBL6747844

BCCCC(c1ccccc1)(c1ccccc1)c1ccccc1.CCN(CC)c1ccccc1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 10/20 0.44
TSHR P16473 2/20 0.43
CNR2 P34972 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CYP3A4 P08684 3/20 0.39
KCNH2 Q12809 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
NOX1 Q9Y5S8 1/20 0.37
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
ALDH1A1 P00352 2/20 0.35
PSMD14 O00487 1/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL8365385 0.85 SIGMAR1 (0.50) KIF11TSHRSIGMAR1CYP3A4KCNH2
SCHEMBL532850 0.82 KIF11 (0.61) KIF11CYP3A4KCNH2CYP2D6CYP2C9
SCHEMBL15051981 0.80 KIF11 (0.59) KIF11CYP3A4KCNH2CYP2D6CYP2C9
Water SCHEMBL28757871 0.80 KIF11 (0.59) KIF11CYP3A4KCNH2CYP2D6CYP2C9
Ammonia Solution, Strong SCHEMBL4606388 0.80 KIF11 (0.59) KIF11CYP3A4KCNH2CYP2D6CYP2C9
Diethylaniline SCHEMBL393151 0.76 TSHR (0.39) KIF11TSHRCNR2SIGMAR1MEN1
Pyrene SCHEMBL8422504 0.76 SIGMAR1 (0.42) KIF11TSHRSIGMAR1CYP3A4KCNH2
SCHEMBL810137 0.75 KIF11 (0.57) KIF11SIGMAR1CYP3A4KCNH2CYP2D6
Tetrabuthylammonium SCHEMBL22518565 0.74 KIF11 (0.44) KIF11CYP3A4KCNH2CYP2D6CYP2C9
Diethylaniline SCHEMBL27763632 0.74 TSHR (0.64) TSHRCNR2CYP3A4MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6696532-B2 OLEFIN POLYMERIZATION CATALYSTS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2004-02-24 US disclosed
US-6686491-B2 ALUMINUM PHOSPHINIMINE COMPLEXES AND METHOD OF MAKING; SOLUTION POLYMERIZATION AND SLURRY POLYMERIZATION OF ETHYLENE HOMO- AND CO-POLYMERS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2004-02-03 US disclosed
US-20030114696-A1 Phosphinimine methanide transition metal catalysts THE GOVERNORS OF THE UNIVERSITY OF ALBERTA 2003-06-19 US disclosed
US-20030028041-A1 Novel aluminum complexes for olefin polymerization THE GOVERNORS OF THE UNIVERSITY OF ALBERTA 2003-02-06 US disclosed
US-6492474-B2 ALUMINUM PHOSPHINIMINE COMPLEXES THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2002-12-10 US disclosed
US-6476245-B1 Phosphinimine methanide transition metal catalysts THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2002-11-05 US disclosed
US-6444834-B1 COORDINATION CATALYSTS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2002-09-03 US disclosed
US-6313331-B1 Carbene transition metal catalysts THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2001-11-06 US disclosed
US-20010018534-A1 Aluminum complexes for olefin polymerization THE GOVERNORS OF THE UNIVERSITY OF ALBERTA 2001-08-30 US disclosed
US-6235919-B1 COORDINATION CATALYSTS OF ALUMINUM AND PHOSPHINIMINES FOR POLYMERIZATION OF OLEFINS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2001-05-22 US disclosed
US-6060568-A Carbene transition metal catalysts THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2000-05-09 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-20030028041-A1 Novel aluminum complexes for olefin polymerization ALOX12, ALOX15B, ALOX5 KIF11 3533/4885TSHR 4836/4885CNR2 2824/4885
US-20030114696-A1 Phosphinimine methanide transition metal catalysts TIMM9, TIMM13, TIMM10 KIF11 928/4885TSHR 4219/4885CNR2 2875/4885

“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.