SCHEMBL12685098

SCHEMBL12685098

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCSSCCNC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 9/20 0.56
▸ ALDH1A1 P00352 4/20 0.56
▸ CNR2 P34972 4/20 0.49
▸ FAAH O00519 1/20 0.49
▸ ALOX12 P18054 1/20 0.45
▸ MAPT P10636 3/20 0.41
▸ FFAR1 O14842 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ RXRA P19793 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ OXER1 Q8TDS5 1/20 0.40
▸ EPHX2 P34913 1/20 0.40

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
SCHEMBL1604840 0.93 CNR1 (0.57) CNR1ALDH1A1CNR2FAAHALOX12
SCHEMBL12722380 0.93 CNR1 (0.57) CNR1ALDH1A1CNR2FAAHALOX12
SCHEMBL2407680 0.91 CNR1 (0.62) CNR1ALDH1A1CNR2FAAHALOX12
SCHEMBL17790865 0.87 CNR1 (0.71) CNR1ALDH1A1CNR2FAAHALOX12
SCHEMBL29744529 0.85 CNR1 (0.56) CNR1ALDH1A1CNR2FAAHALOX12
SCHEMBL15700831 0.84 CNR1 (0.64) CNR1ALDH1A1CNR2FAAHALOX12
SCHEMBL18622736 0.82 CNR1 (0.42) CNR1ALDH1A1CNR2
SCHEMBL17790862 0.82 CNR1 (0.45) CNR1ALDH1A1CNR2FAAHALOX12
SCHEMBL17790888 0.82 CNR1 (0.45) CNR1ALDH1A1CNR2FAAHALOX12
SCHEMBL19328452 0.82 CNR1 (0.45) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013033602-A2 FATTY ACID AMIDES, COMPOSITIONS AND METHODS OF USE MILNE JILL C (US) 2013-03-07 — — WO disclosed
US-20130059801-A1 FATTY ACID AMIDES, COMPOSITIONS AND METHODS OF USE CATABASIS PHARMACEUTICALS, INC. (US) 2013-03-07 — — US disclosed
US-20130059801-A1 FATTY ACID AMIDES, COMPOSITIONS AND METHODS OF USE CATABASIS PHARMACEUTICALS, INC. (US) 2013-03-07 — — US disclosed
WO-2012115695-A1 BIS-FATTY ACID CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2012-08-30 — — 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 (1 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-20130059801-A1 FATTY ACID AMIDES, COMPOSITIONS AND METHODS OF USE FASN, FADS1, ELOVL5 CNR1 1072/4885ALDH1A1 810/4885CNR2 526/4885

“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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