SCHEMBL2193488

SCHEMBL2193488

CCC=CCC=CCC=CCC=CCC=CCCCC(=O)NCCNCCNC(=O)/C=C/C(=O)OC

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 8/20 0.59
▸ ALDH1A1 P00352 3/20 0.48
▸ FAAH O00519 2/20 0.48
▸ CNR2 P34972 2/20 0.48
▸ TRPM8 Q7Z2W7 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KCNK3 O14649 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ TRPV1 Q8NER1 1/20 0.48
▸ SREBF2 Q12772 1/20 0.47
▸ MAPT P10636 2/20 0.47
▸ EPHX2 P34913 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL2193492 1.00 CNR1 (0.59) CNR1ALDH1A1FAAHCNR2TRPM8
SCHEMBL2190334 0.96 CNR1 (0.63) CNR1ALDH1A1FAAHCNR2TRPM8
SCHEMBL2190329 0.96 CNR1 (0.63) CNR1ALDH1A1FAAHCNR2TRPM8
SCHEMBL12507980 0.96 CNR1 (0.63) CNR1ALDH1A1FAAHCNR2TRPM8
SCHEMBL2189515 0.93 CNR1 (0.57) CNR1ALDH1A1FAAHCNR2SREBF2
SCHEMBL12508159 0.93 CNR1 (0.57) CNR1ALDH1A1FAAHCNR2SREBF2
SCHEMBL2189516 0.93 CNR1 (0.57) CNR1ALDH1A1FAAHCNR2SREBF2
SCHEMBL2188173 0.91 CNR1 (0.52) CNR1ALDH1A1FAAHCNR2MEN1
SCHEMBL2188410 0.91 CNR1 (0.52) CNR1ALDH1A1FAAHCNR2MEN1
SCHEMBL2188405 0.91 CNR1 (0.52) CNR1ALDH1A1FAAHCNR2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2521447-B1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS INC (US) 2017-06-14 — — EP claimed
US-8969354-B2 Fatty acid fumarate derivatives and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2015-03-03 — — US claimed
US-20130065909-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2013-03-14 — — US claimed
EP-2521447-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES Catabasis Pharmaceuticals, Inc. (US) 2012-11-14 — — EP claimed
WO-2011085211-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2011-07-14 — — WO claimed
US-20110172240-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2011-07-14 — — US claimed
US-20180271820-A1 METHODS OF TREATING HEART FAILURE RAJASEKHAR VIJAYKUMAR (US) 2018-09-27 — — US disclosed
US-20170258751-A1 METHODS OF TREATING HEART FAILURE USING FATTY ACID FUMARATE DERIVATIVES RAJASEKHAR VIJAYKUMAR (US) 2017-09-14 — — 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
EP-2521447-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES Catabasis Pharmaceuticals, Inc. (US) 2012-11-14 — — EP disclosed
WO-2011085211-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2011-07-14 — — WO 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 (5 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-20170258751-A1 METHODS OF TREATING HEART FAILURE USING FATTY ACID FUMARATE DERIVATIVES FH, FABP3, HMGCR CNR1 4358/4885ALDH1A1 1637/4885FAAH 258/4885
US-20180271820-A1 METHODS OF TREATING HEART FAILURE FABP3, FH, TNNI3 CNR1 3874/4885ALDH1A1 648/4885FAAH 750/4885
US-20130065909-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 CNR1 3320/4885ALDH1A1 972/4885FAAH 147/4885
US-20150238618-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 CNR1 3320/4885ALDH1A1 972/4885FAAH 147/4885
US-20110172240-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 CNR1 3320/4885ALDH1A1 972/4885FAAH 147/4885

“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.

Send feedback