SCHEMBL2191834

SCHEMBL2191834

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCNC(=O)/C=C/C(=O)NCCNC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 8/20 0.71
▸ ALDH1A1 P00352 5/20 0.71
▸ FAAH O00519 2/20 0.62
▸ CNR2 P34972 4/20 0.57
▸ ALOX12 P18054 1/20 0.54
▸ MAPT P10636 2/20 0.51
▸ FFAR1 O14842 1/20 0.51
▸ CYP19A1 P11511 1/20 0.51
▸ RXRA P19793 1/20 0.51
▸ PPARG P37231 1/20 0.51
▸ OXER1 Q8TDS5 1/20 0.51
▸ EPHX2 P34913 1/20 0.48
▸ TRPM8 Q7Z2W7 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KCNK3 O14649 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TRPV1 Q8NER1 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
SCHEMBL2188464 0.94 CNR1 (0.64) CNR1ALDH1A1FAAHCNR2ALOX12
SCHEMBL2188466 0.94 CNR1 (0.64) CNR1ALDH1A1FAAHCNR2ALOX12
SCHEMBL12417778 0.94 CNR1 (0.64) CNR1ALDH1A1FAAHCNR2ALOX12
SCHEMBL2190944 0.94 CNR1 (0.69) CNR1ALDH1A1FAAHCNR2ALOX12
SCHEMBL12417774 0.94 CNR1 (0.64) CNR1ALDH1A1FAAHCNR2ALOX12
SCHEMBL12319236 0.92 CNR1 (0.83) CNR1ALDH1A1FAAHCNR2ALOX12
SCHEMBL2187500 0.92 CNR1 (0.61) CNR1ALDH1A1FAAHCNR2ALOX12
SCHEMBL12507906 0.92 CNR1 (0.61) CNR1ALDH1A1FAAHCNR2ALOX12
SCHEMBL2187499 0.92 CNR1 (0.61) CNR1ALDH1A1FAAHCNR2ALOX12
SCHEMBL18936854 0.90 CNR1 (0.59) CNR1ALDH1A1FAAHCNR2ALOX12

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 8 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-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 (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-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.

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