SCHEMBL112090

SCHEMBL112090

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
HIF1A Q16665 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
CACNA1B Q00975 1/20 0.32
KLF10 Q13118 1/20 0.32
RIPK1 Q13546 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
APP P05067 1/20 0.31

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 0.97 MEN1 (0.35) MEN1KMT2AATMRXFP1CYP3A4
SCHEMBL111024 0.92 CYP3A4 (0.36) CYP3A4CYP2D6HIF1AHRH3CACNA1B
SCHEMBL111166 0.88 HTR1A (0.35) MEN1KMT2AATMRXFP1CYP3A4
SCHEMBL13896547 0.85 KLF10 (0.38) MEN1KMT2ACACNA1BKLF10APP
SCHEMBL21160851 0.83 CYP2D6 (0.33) CYP3A4CYP2D6HIF1AHRH3ALDH1A1
SCHEMBL109934 0.82 MEN1 (0.39) MEN1KMT2AATMRXFP1CYP3A4
SCHEMBL16864098 0.82 CYP3A4 (0.31) MEN1KMT2AATMRXFP1CYP3A4
SCHEMBL12787058 0.82 CYP3A4 (0.40) CYP3A4CYP2D6HIF1AHRH3RIPK1
SCHEMBL14726005 0.81 CYP3A4 (0.30) CYP3A4CYP2D6HIF1A
SCHEMBL22489572 0.81 CYP3A4 (0.34) CYP3A4CYP2D6HIF1ARIPK1APP

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 22 patents — showing the first 20. 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-2430073-B1 CATIONIC BENZOXAZINE (CO)POLYMERS HENKEL AG & CO KGAA (DE) 2015-01-07 EP 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-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-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-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 (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-20150126679-A1 POLYMERIZABLE BENZOXAZINE COMPOUNDS WITH INTERFACIAL ACTIVE OR SURFACE ACTIVE PROPERTIES CYP4Z1, PRDX4, PRDX1 MEN1 4789/4885KMT2A 1604/4885ATM 4317/4885
US-20120010202-A1 POLYMERIZABLE BENZOXAZINE COMPOUNDS WITH INTERFACIAL ACTIVE OR SURFACE ACTIVE PROPERTIES CYP4Z1, PRDX4, PRDX1 MEN1 4789/4885KMT2A 1604/4885ATM 4317/4885

“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.