SCHEMBL12417820

SCHEMBL12417820

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

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
APEX1 P27695 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL111071 0.82 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1APEX1KDM4E
SCHEMBL12508158 0.82 GFPT1 (0.45) ALDH1A1KDM4E
SCHEMBL15271122 0.81 ZDHHC20 (0.44) ALDH1A1KDM4E
SCHEMBL11436694 0.80 DNM1 (0.42) SMN1; SMN2ALDH1A1APEX1KDM4E
SCHEMBL108355 0.80 DNM1 (0.42) SMN1; SMN2ALDH1A1APEX1KDM4E
SCHEMBL109850 0.79
SCHEMBL21049696 0.79
SCHEMBL1583774 0.76 CARM1 (0.34) KDM4E
SCHEMBL8927622 0.76 PAOX (0.50) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL21049693 0.76 PAOX (0.45) SMN1; SMN2ALDH1A1APEX1

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 SMN1; SMN2 377/4885ALDH1A1 972/4885APEX1 2796/4885
US-20150238618-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 SMN1; SMN2 377/4885ALDH1A1 972/4885APEX1 2796/4885
US-20110172240-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 SMN1; SMN2 377/4885ALDH1A1 972/4885APEX1 2796/4885
US-20160340294-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 SMN1; SMN2 377/4885ALDH1A1 972/4885APEX1 2796/4885

“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.