SCHEMBL109934

SCHEMBL109934

Cc1ccc2c(c1)CN(CCCO)CO2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ATM Q13315 3/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAPT P10636 4/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RIPK1 Q13546 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
HIF1A Q16665 1/20 0.36
CREBBP Q92793 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
RAB9A P51151 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
SCHEMBL109930 0.91 MAPT (0.40) MEN1KMT2AATMRXFP1MAPT
SCHEMBL28169350 0.84 ALDH1A1 (0.48) ATMMAPTGAASMN1; SMN2RIPK1
SCHEMBL19556695 0.84 MAPT (0.38) MAPTGAASMN1; SMN2RIPK1CYP3A4
SCHEMBL13895190 0.83 MEN1 (0.36) MEN1KMT2AATMRXFP1MAPT
SCHEMBL112090 0.82 MEN1 (0.36) MEN1KMT2AATMRXFP1MAPT
SCHEMBL14883704 0.82 MAPT (0.40) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL12786756 0.81 MAPT (0.42) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL19557535 0.80 MAPT (0.40) MAPTGAASMN1; SMN2RIPK1CYP3A4
SCHEMBL16692368 0.80 MEN1 (0.35) MEN1KMT2AATMRXFP1RIPK1
SCHEMBL21377311 0.80 MAPT (0.36) MEN1KMT2AATMMAPTGAA

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 23 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-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
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-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.