SCHEMBL2188410

SCHEMBL2188410

CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)NCCNCCCNC(=O)C=CC(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 9/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ CNR2 P34972 2/20 0.47
▸ FAAH O00519 1/20 0.46
▸ ALOX12 P18054 1/20 0.42
▸ EPHX2 P34913 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SLC6A5 Q9Y345 1/20 0.39

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
SCHEMBL2188178 1.00 CNR1 (0.52) CNR1ALDH1A1CNR2FAAHALOX12
SCHEMBL2188173 1.00 CNR1 (0.52) CNR1ALDH1A1CNR2FAAHALOX12
SCHEMBL2188405 1.00 CNR1 (0.52) CNR1ALDH1A1CNR2FAAHALOX12
SCHEMBL12508159 0.95 CNR1 (0.57) CNR1ALDH1A1CNR2FAAHALOX12
SCHEMBL2189515 0.95 CNR1 (0.57) CNR1ALDH1A1CNR2FAAHALOX12
SCHEMBL2189516 0.95 CNR1 (0.57) CNR1ALDH1A1CNR2FAAHALOX12
SCHEMBL2189816 0.94 CNR1 (0.58) CNR1ALDH1A1CNR2FAAHALOX12
SCHEMBL14762843 0.94 CNR1 (0.58) CNR1ALDH1A1CNR2FAAHALOX12
SCHEMBL2189818 0.94 CNR1 (0.58) CNR1ALDH1A1CNR2FAAHALOX12
SCHEMBL14762845 0.94 CNR1 (0.58) CNR1ALDH1A1CNR2FAAHALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2521447-B1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS INC (US) 2017-06-14 — — EP disclosed
US-20160340294-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. 2016-11-24 — — 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 1637/4885CNR2 3580/4885
US-20180271820-A1 METHODS OF TREATING HEART FAILURE FABP3, FH, TNNI3 CNR1 3874/4885ALDH1A1 648/4885CNR2 2817/4885
US-20130065909-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 CNR1 3320/4885ALDH1A1 972/4885CNR2 2347/4885
US-20110172240-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 CNR1 3320/4885ALDH1A1 972/4885CNR2 2347/4885
US-20160340294-A1 FATTY ACID FUMARATE DERIVATIVES AND THEIR USES FH, FASN, ELOVL1 CNR1 3320/4885ALDH1A1 972/4885CNR2 2347/4885

“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.

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