SCHEMBL111166

SCHEMBL111166

CC(C)(c1ccc2c(c1)CN(CCOCCO)CO2)c1ccc2c(c1)CN(CCOCCO)CO2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.35
CYP2D6 P10635 2/20 0.34
CYP3A4 P08684 1/20 0.34
HIF1A Q16665 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
FPR2 P25090 2/20 0.33
PSMB1 P20618 1/20 0.33
PSMB5 P28074 1/20 0.33
PSMB2 P49721 1/20 0.33
ADRA2A P08913 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NAMPT P43490 1/20 0.30
ATM Q13315 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
HTR2A P28223 2/20 0.30
HTR2B P41595 2/20 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
SCHEMBL112090 0.88 MEN1 (0.36) CYP2D6CYP3A4HIF1ASMN1; SMN2ALDH1A1
SCHEMBL111024 0.87 CYP3A4 (0.36) CYP2D6CYP3A4HIF1AALDH1A1HRH3
SCHEMBL10080637 0.87 KLF10 (0.36) ALDH1A1
SCHEMBL16692368 0.85 MEN1 (0.35) CYP2D6CYP3A4HIF1AHRH3MEN1
SCHEMBL111029 0.78 NAMPT (0.41) HTR1ACYP2D6CYP3A4HIF1ASMN1; SMN2
SCHEMBL21160851 0.76 CYP2D6 (0.33) CYP2D6CYP3A4HIF1AALDH1A1HRH3
SCHEMBL16864098 0.76 CYP3A4 (0.31) CYP2D6CYP3A4HIF1AMEN1KMT2A
SCHEMBL14726006 0.76 HRH3 (0.32) CYP2D6CYP3A4HIF1AHRH3
SCHEMBL20346438 0.76 CYP3A4 (0.31) CYP2D6CYP3A4HIF1A
SCHEMBL24419858 0.76 CYP3A4 (0.32) CYP2D6CYP3A4HIF1AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150126679-A1 POLYMERIZABLE BENZOXAZINE COMPOUNDS WITH INTERFACIAL ACTIVE OR SURFACE ACTIVE PROPERTIES HENKEL AG & CO KGAA (DE) 2015-05-07 US disclosed
US-20150126679-A1 POLYMERIZABLE BENZOXAZINE COMPOUNDS WITH INTERFACIAL ACTIVE OR SURFACE ACTIVE PROPERTIES HENKEL AG & CO KGAA (DE) 2015-05-07 US disclosed
US-20150126669-A1 POLYMERIZABLE BENZOXAZINE COMPOUNDS WITH INTERFACIAL ACTIVE OR SURFACE ACTIVE PROPERTIES HENKEL AG & CO KGAA (DE) 2015-05-07 US disclosed
US-20150126669-A1 POLYMERIZABLE BENZOXAZINE COMPOUNDS WITH INTERFACIAL ACTIVE OR SURFACE ACTIVE PROPERTIES HENKEL AG & CO KGAA (DE) 2015-05-07 US disclosed
EP-2430137-B1 COLOR-PROTECTING WASHING OR CLEANING AGENT HENKEL AG & CO KGAA (DE) 2014-11-12 EP disclosed
US-8580726-B2 Color-protecting washing or cleaning agent HENKEL AG & CO. KGAA (DE) 2013-11-12 US disclosed
US-8580726-B2 Color-protecting washing or cleaning agent HENKEL AG & CO. KGAA (DE) 2013-11-12 US disclosed
US-8309066-B2 Cationic benzoxazine (co)polymers HENKEL AG & CO. KGAA (DE) 2012-11-13 US disclosed
US-8309066-B2 Cationic benzoxazine (co)polymers HENKEL AG & CO. KGAA (DE) 2012-11-13 US disclosed
US-20120058069-A1 Cationic Benzoxazine (Co)Polymers HENKEL AG & CO. KGAA (DE) 2012-03-08 US disclosed
US-20120058069-A1 Cationic Benzoxazine (Co)Polymers HENKEL AG & CO. KGAA (DE) 2012-03-08 US disclosed
US-20120047664-A1 COLOR-PROTECTING WASHING OR CLEANING AGENT HENKEL AG & CO. KGAA (DE) 2012-03-01 US disclosed
US-20120047664-A1 COLOR-PROTECTING WASHING OR CLEANING AGENT HENKEL AG & CO. KGAA (DE) 2012-03-01 US disclosed
US-20120010202-A1 POLYMERIZABLE BENZOXAZINE COMPOUNDS WITH INTERFACIAL ACTIVE OR SURFACE ACTIVE PROPERTIES HENKEL AG & CO. KGAA (DE) 2012-01-12 US disclosed
US-20110189458-A1 Polymerizable Compositions SUDO ATSUSHI 2011-08-04 US disclosed
US-20110189458-A1 Polymerizable Compositions SUDO ATSUSHI 2011-08-04 US disclosed
WO-2010130627-A1 POLYMERIZABLE BENZOXAZINE COMPOUNDS WITH INTERFACIAL ACTIVE OR SURFACE ACTIVE PROPERTIES HENKEL AG & CO. KGAA (DE) 2010-11-18 WO disclosed
WO-2010130624-A1 COLOR-PROTECTING WASHING OR CLEANING AGENT HENKEL AG & CO. KGAA (DE) 2010-11-18 WO disclosed
WO-2010130626-A2 CATIONIC BENZOXAZINE (CO)POLYMERS HENKEL AG & CO. KGAA (DE) 2010-11-18 WO disclosed
WO-2010018198-A1 POLYMERIZABLE BENZOXAZINE COMPOSITIONS HENKEL AG & CO. KGAA (DE) 2010-02-18 WO 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 (3 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-20150126679-A1 POLYMERIZABLE BENZOXAZINE COMPOUNDS WITH INTERFACIAL ACTIVE OR SURFACE ACTIVE PROPERTIES CYP4Z1, PRDX4, PRDX1 HTR1A 1483/4885CYP2D6 335/4885CYP3A4 52/4885
US-20120058069-A1 Cationic Benzoxazine (Co)Polymers H1-4, H1-5, PARN HTR1A 826/4885CYP2D6 1935/4885CYP3A4 462/4885
US-20120010202-A1 POLYMERIZABLE BENZOXAZINE COMPOUNDS WITH INTERFACIAL ACTIVE OR SURFACE ACTIVE PROPERTIES CYP4Z1, PRDX4, PRDX1 HTR1A 1483/4885CYP2D6 335/4885CYP3A4 52/4885

“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.