SCHEMBL109928

SCHEMBL109928

CC(CO)N1COc2ccccc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
OGA O60502 1/20 0.35
HSD17B3 P37058 1/20 0.34
KCNH2 Q12809 5/20 0.32
TMEM97 Q5BJF2 3/20 0.32
SIGMAR1 Q99720 3/20 0.32
HRH3 Q9Y5N1 1/20 0.32
IDO1 P14902 1/20 0.32
HTR6 P50406 1/20 0.32
OXTR P30559 1/20 0.32
PIK3CA P42336 1/20 0.31
ATM Q13315 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 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
SCHEMBL19607662 0.86 MEN1 (0.42) MEN1KMT2AOGAHSD17B3KCNH2
SCHEMBL22957028 0.84 MEN1 (0.41) MEN1KMT2AOGAHSD17B3KCNH2
SCHEMBL16380576 0.82 MEN1 (0.40) MEN1KMT2AOGAKCNH2TMEM97
SCHEMBL15701577 0.82 MEN1 (0.40) MEN1KMT2AOGAHSD17B3KCNH2
SCHEMBL16059112 0.76 HSD17B3 (0.41) MEN1KMT2AOGAHSD17B3KCNH2
SCHEMBL21014434 0.75 MEN1 (0.35) MEN1KMT2AOGAHSD17B3OXTR
SCHEMBL13807540 0.69 POLB (0.35) MEN1KMT2AHSD17B3KDM4EALDH1A1
SCHEMBL111021 0.69 APP (0.41) MEN1KMT2AHSD17B3OXTRALDH1A1
SCHEMBL9942876 0.69 HRH3 (0.41) MEN1KMT2AOGAKCNH2HRH3
SCHEMBL94770 0.69 MAPT (0.50) MEN1KMT2AHSD17B3KCNH2OXTR

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-20150126669-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-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
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-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-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 (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 1604/4885OGA 1340/4885
US-20120010202-A1 POLYMERIZABLE BENZOXAZINE COMPOUNDS WITH INTERFACIAL ACTIVE OR SURFACE ACTIVE PROPERTIES CYP4Z1, PRDX4, PRDX1 MEN1 4789/4885KMT2A 1604/4885OGA 1340/4885

“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.