SCHEMBL2817042

SCHEMBL2817042

O[CH]CCN1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 2/20 0.52
GLA P06280 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
KEAP1 Q14145 1/20 0.46
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.42
DUSP3 P51452 1/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
HSD17B10 Q99714 2/20 0.40
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL15154484 0.86 KEAP1 (0.54) KDM4EALDH1A1GLASMN1; SMN2KEAP1
SCHEMBL15154571 0.85 KEAP1 (0.52) KDM4EALDH1A1GLASMN1; SMN2KEAP1
SCHEMBL15154632 0.83 SMN1; SMN2 (0.50) KDM4EALDH1A1GLASMN1; SMN2KEAP1
SCHEMBL10407793 0.82 KDM4E (0.48) KDM4EALDH1A1GLASMN1; SMN2KEAP1
SCHEMBL646005 0.80 KDM4E (0.50) KDM4EALDH1A1GLASMN1; SMN2KEAP1
SCHEMBL235080 0.79 KDM4E (0.65) KDM4EALDH1A1GLASMN1; SMN2KEAP1
SCHEMBL6844349 0.77
SCHEMBL5345779 0.76 KDM4E (0.46) KDM4EALDH1A1GLASMN1; SMN2KEAP1
SCHEMBL2595940 0.76 KDM4E (0.46) KDM4EALDH1A1GLASMN1; SMN2KEAP1
SCHEMBL21623672 0.76 KDM4E (0.46) KDM4EALDH1A1GLASMN1; SMN2KEAP1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010110686-A1 PYRIMIDINYL AND 1,3,5 TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS LIMITED (NZ) 2010-09-30 WO claimed
US-8952006-B2 Morpholinoalkyl fumarate compounds, pharmaceutical compositions, and methods of use XENOPORT, INC. (US) 2015-02-10 US disclosed
EP-2812319-A1 MORPHOLINOALKYL FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE XenoPort, Inc. (US) 2014-12-17 EP disclosed
US-20140051705-A1 Morpholinoalkyl Fumarate Compounds, Pharmaceutical Compositions, and Methods of Use XENOPORT, INC. (US) 2014-02-20 US disclosed
WO-2013119791-A1 MORPHOLINOALKYL FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE XENOPORT, INC. (US) 2013-08-15 WO disclosed
US-20130203753-A1 MORPHOLINOALKYL FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE XENOPORT, INC. (US) 2013-08-08 US disclosed
WO-2010110686-A1 PYRIMIDINYL AND 1,3,5 TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS LIMITED (NZ) 2010-09-30 WO disclosed
EP-1349852-A2 4-(HETERO)ARYL SUBSTITUTED INDOLINONES Sugen, Inc. (US) 2003-10-08 EP disclosed
WO-2002055517-A2 4-(HETERO)ARYL SUBSTITUTED INDOLINONES CUI JINGRONG (US) 2002-07-18 WO disclosed
US-5182278-A Arterial hypotensive agents ADIR ET COMPAGNIE (FR) 1993-01-26 US 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-20140051705-A1 Morpholinoalkyl Fumarate Compounds, Pharmaceutical Compositions, and Methods of Use FH, APC, HTT KDM4E 3249/4885ALDH1A1 2754/4885GLA 3983/4885
US-20130203753-A1 MORPHOLINOALKYL FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE FH, APC, HTT KDM4E 3249/4885ALDH1A1 2754/4885GLA 3983/4885

“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.