SCHEMBL2407680

SCHEMBL2407680

CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)NCCNC(=O)OC(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 9/20 0.62
▸ ALDH1A1 P00352 4/20 0.62
▸ FAAH O00519 1/20 0.55
▸ CNR2 P34972 4/20 0.54
▸ ALOX12 P18054 1/20 0.49
▸ MAPT P10636 3/20 0.46
▸ FFAR1 O14842 1/20 0.45
▸ CYP19A1 P11511 1/20 0.45
▸ RXRA P19793 1/20 0.45
▸ PPARG P37231 1/20 0.45
▸ OXER1 Q8TDS5 1/20 0.45
▸ EPHX2 P34913 1/20 0.43
▸ SREBF2 Q12772 1/20 0.42

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
SCHEMBL15700831 0.92 CNR1 (0.64) CNR1ALDH1A1FAAHCNR2ALOX12
SCHEMBL12685098 0.91 CNR1 (0.56) CNR1ALDH1A1FAAHCNR2ALOX12
SCHEMBL29744529 0.91 CNR1 (0.56) CNR1ALDH1A1FAAHCNR2ALOX12
SCHEMBL12319236 0.85 CNR1 (0.83) CNR1ALDH1A1FAAHCNR2ALOX12
SCHEMBL12722380 0.84 CNR1 (0.57) CNR1ALDH1A1FAAHCNR2ALOX12
SCHEMBL1604840 0.84 CNR1 (0.57) CNR1ALDH1A1FAAHCNR2ALOX12
SCHEMBL14146316 0.83 CNR1 (0.47) CNR1ALDH1A1FAAHCNR2ALOX12
SCHEMBL14146686 0.82 CNR1 (0.46) CNR1ALDH1A1FAAHCNR2ALOX12
SCHEMBL28536043 0.82 TDP1 (0.50) CNR1ALDH1A1FAAHCNR2
SCHEMBL1822553 0.81 CNR1 (0.43) CNR1ALDH1A1FAAHCNR2MAPT

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-9150504-B2 Fatty acid guanidine and salicylate guanidine derivatives and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2015-10-06 — — US disclosed
US-20130190327-A1 BIS-FATTY ACID CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS INC (US) 2013-07-25 — — US disclosed
US-20120277305-A1 FATTY ACID GUANIDINE AND SALICYLATE GUANIDINE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2012-11-01 — — US disclosed
WO-2012115695-A1 BIS-FATTY ACID CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2012-08-30 — — WO disclosed
US-20110212958-A1 FATTY ACID RALOXIFENE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2011-09-01 — — US disclosed
WO-2011106688-A1 BIS-FATTY ACID CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2011-09-01 — — WO 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 (3 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-20110212958-A1 FATTY ACID RALOXIFENE DERIVATIVES AND THEIR USES ELOVL5, ELOVL3, ELOVL6 CNR1 2872/4885ALDH1A1 1295/4885FAAH 333/4885
US-20130190327-A1 BIS-FATTY ACID CONJUGATES AND THEIR USES FASN, ELOVL1, ELOVL5 CNR1 2557/4885ALDH1A1 610/4885FAAH 124/4885
US-20120277305-A1 FATTY ACID GUANIDINE AND SALICYLATE GUANIDINE DERIVATIVES AND THEIR USES SCD, SCD5, FASN CNR1 2153/4885ALDH1A1 385/4885FAAH 202/4885

“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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