SCHEMBL109930

SCHEMBL109930

Cc1ccc2c(c1)CN(CCO)CO2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RIPK1 Q13546 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HIF1A Q16665 1/20 0.38
RAB9A P51151 1/20 0.37
AKR1C3 P42330 1/20 0.34
CREBBP Q92793 1/20 0.34
ADRB2 P07550 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HTR2A P28223 1/20 0.32

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
SCHEMBL109934 0.91 MEN1 (0.39) MAPTGAASMN1; SMN2RIPK1CYP3A4
SCHEMBL19556695 0.86 MAPT (0.38) MAPTGAASMN1; SMN2RIPK1CYP3A4
SCHEMBL14883704 0.84 MAPT (0.40) MAPTGAASMN1; SMN2RIPK1CYP3A4
SCHEMBL12786756 0.83 MAPT (0.42) MAPTGAASMN1; SMN2RIPK1CYP3A4
SCHEMBL19557535 0.83 MAPT (0.40) MAPTGAASMN1; SMN2RIPK1CYP3A4
SCHEMBL21377311 0.82 MAPT (0.36) MAPTGAASMN1; SMN2RIPK1CYP3A4
SCHEMBL16380600 0.81 SMN1; SMN2 (0.36) MAPTGAASMN1; SMN2RIPK1CYP3A4
SCHEMBL28169350 0.81 ALDH1A1 (0.48) MAPTGAASMN1; SMN2RIPK1CYP2D6
SCHEMBL111024 0.81 CYP3A4 (0.36) GAARIPK1CYP3A4CYP2D6HIF1A
SCHEMBL12786770 0.81 TSHR (0.49) MAPTGAASMN1; SMN2RIPK1CYP3A4

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110938347-A Benzoxazine-containing coating composition, preparation method and application 华东理工大学 2020-03-31 CN 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
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-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
EP-2323995-B1 POLYMERIZABLE BENZOXAZINE COMPOSITIONS HENKEL AG & CO KGAA (DE) 2012-11-21 EP 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
EP-2314579-A1 Fast-curing benzoxazine compounds Henkel AG & Co. KGaA (DE) 2011-04-27 EP 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-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 MAPT 3218/4885GAA 736/4885SMN1; SMN2 4762/4885
US-20120010202-A1 POLYMERIZABLE BENZOXAZINE COMPOUNDS WITH INTERFACIAL ACTIVE OR SURFACE ACTIVE PROPERTIES CYP4Z1, PRDX4, PRDX1 MAPT 3218/4885GAA 736/4885SMN1; SMN2 4762/4885

“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.