SCHEMBL111024

SCHEMBL111024

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
HIF1A Q16665 1/20 0.36
HRH3 Q9Y5N1 1/20 0.34
KLF10 Q13118 1/20 0.33
CACNA1B Q00975 1/20 0.33
RIPK1 Q13546 2/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
ESR1 P03372 1/20 0.30
SCN9A Q15858 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
SCHEMBL16692368 0.95 MEN1 (0.35) CYP3A4CYP2D6HIF1AHRH3KLF10
SCHEMBL112090 0.92 MEN1 (0.36) CYP3A4CYP2D6HIF1AHRH3KLF10
SCHEMBL111166 0.87 HTR1A (0.35) CYP3A4CYP2D6HIF1AHRH3ALDH1A1
SCHEMBL20346438 0.87 CYP3A4 (0.31) CYP3A4CYP2D6HIF1A
SCHEMBL12787058 0.84 CYP3A4 (0.40) CYP3A4CYP2D6HIF1AHRH3RIPK1
SCHEMBL13896558 0.84 KLF10 (0.39) KLF10CACNA1B
SCHEMBL20346436 0.83 CYP3A4 (0.37) CYP3A4CYP2D6HIF1A
SCHEMBL29663841 0.82 CHEK1 (0.43) CYP3A4CYP2D6HIF1ARIPK1ALDH1A1
SCHEMBL109930 0.81 MAPT (0.40) CYP3A4CYP2D6HIF1ARIPK1ALDH1A1
SCHEMBL21160851 0.80 CYP2D6 (0.33) CYP3A4CYP2D6HIF1AHRH3ALDH1A1

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
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
EP-2323995-B1 POLYMERIZABLE BENZOXAZINE COMPOSITIONS HENKEL AG & CO KGAA (DE) 2012-11-21 EP 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-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-2010130626-A2 CATIONIC BENZOXAZINE (CO)POLYMERS 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-2010130627-A1 POLYMERIZABLE BENZOXAZINE COMPOUNDS WITH INTERFACIAL ACTIVE OR SURFACE ACTIVE PROPERTIES 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 CYP3A4 52/4885CYP2D6 335/4885HIF1A 1247/4885
US-20120058069-A1 Cationic Benzoxazine (Co)Polymers H1-4, H1-5, PARN CYP3A4 462/4885CYP2D6 1935/4885HIF1A 2100/4885
US-20120010202-A1 POLYMERIZABLE BENZOXAZINE COMPOUNDS WITH INTERFACIAL ACTIVE OR SURFACE ACTIVE PROPERTIES CYP4Z1, PRDX4, PRDX1 CYP3A4 52/4885CYP2D6 335/4885HIF1A 1247/4885

“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.