SCHEMBL12508158

SCHEMBL12508158

COC(=O)/C=C/C(=O)NCCN(C)CCN

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GFPT1 Q06210 1/20 0.45
HCAR2 Q8TDS4 2/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
ALDH1A1 P00352 3/20 0.36
ZDHHC20 Q5W0Z9 2/20 0.34
ZDHHC2 Q9UIJ5 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
PARP1 P09874 1/20 0.31
PARP15 Q460N3 1/20 0.31
PARP14 Q460N5 1/20 0.31
PARP10 Q53GL7 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL12417820 0.82 SMN1; SMN2 (0.35) ALDH1A1KDM4E
SCHEMBL2191019 0.81 GFPT1 (0.54) GFPT1HCAR2KEAP1NFE2L2ALDH1A1
SCHEMBL2191028 0.81 GFPT1 (0.54) GFPT1HCAR2KEAP1NFE2L2ALDH1A1
SCHEMBL15271122 0.77 ZDHHC20 (0.44) ALDH1A1ZDHHC20ZDHHC2MEN1KMT2A
SCHEMBL12417862 0.76 CA14 (0.41) GFPT1HCAR2KEAP1NFE2L2ALDH1A1
SCHEMBL2191262 0.74 GFPT1 (0.47) GFPT1HCAR2KEAP1NFE2L2ALDH1A1
SCHEMBL2191258 0.74 GFPT1 (0.47) GFPT1HCAR2KEAP1NFE2L2ALDH1A1
SCHEMBL14067583 0.73 ALDH1A1 (0.50) ALDH1A1ZDHHC20ZDHHC2MEN1KMT2A
SCHEMBL30380324 0.73 HCAR2 (0.41) GFPT1HCAR2KEAP1NFE2L2MEN1
SCHEMBL14067585 0.73 ALDH1A1 (0.50) ALDH1A1ZDHHC20ZDHHC2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160340294-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2016-11-24 US disclosed
US-9289503-B2 Fatty acid fumarate derivatives and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2016-03-22 US disclosed
US-20150238618-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2015-08-27 US disclosed
US-8969354-B2 Fatty acid fumarate derivatives and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2015-03-03 US disclosed
US-20130065909-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2013-03-14 US disclosed
US-20110172240-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2011-07-14 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 (4 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-20130065909-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 GFPT1 470/4885HCAR2 189/4885KEAP1 558/4885
US-20150238618-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 GFPT1 470/4885HCAR2 189/4885KEAP1 558/4885
US-20110172240-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 GFPT1 470/4885HCAR2 189/4885KEAP1 558/4885
US-20160340294-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 GFPT1 470/4885HCAR2 189/4885KEAP1 558/4885

“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.