SCHEMBL18622736

SCHEMBL18622736

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ IDO1 P14902 2/20 0.36
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ CA12 O43570 3/20 0.33
▸ CA1 P00915 3/20 0.33
▸ CA2 P00918 3/20 0.33
▸ CA9 Q16790 3/20 0.33
▸ HTT P42858 1/20 0.33
▸ EPHX1 P07099 1/20 0.33

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
SCHEMBL12685098 0.82 CNR1 (0.56) CNR1CNR2ALDH1A1
SCHEMBL18622735 0.81 TSHR (0.42) CNR1CNR2SMN1; SMN2NPC1RAB9A
SCHEMBL1604840 0.81 CNR1 (0.57) CNR1CNR2TDP1MEN1KMT2A
SCHEMBL12722380 0.81 CNR1 (0.57) CNR1CNR2TDP1MEN1KMT2A
SCHEMBL18622734 0.80 CNR1 (0.38) CNR1CNR2SMN1; SMN2NPC1RAB9A
SCHEMBL28735535 0.79 TDP1 (0.57) TDP1MEN1KMT2AGAAMAOA
SCHEMBL1082707 0.78 TDP1 (0.56) TDP1MEN1KMT2AGAAIDO1
SCHEMBL14646688 0.76 TDP1 (0.50) TDP1MEN1KMT2AGAAIDO1
SCHEMBL10037314 0.73 TDP1 (0.47) TDP1MEN1KMT2AGAAIDO1
SCHEMBL14646691 0.73 TDP1 (0.51) TDP1MEN1KMT2AGAAIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170073305-A1 FATTY ACID AMIDES, COMPOSITIONS AND METHODS OF USE CATABASIS PHARMACEUTICALS, INC. 2017-03-16 — — US disclosed
US-20170073305-A1 FATTY ACID AMIDES, COMPOSITIONS AND METHODS OF USE CATABASIS PHARMACEUTICALS, INC. 2017-03-16 — — 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 (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-20170073305-A1 FATTY ACID AMIDES, COMPOSITIONS AND METHODS OF USE FASN, FADS1, ELOVL5 CNR1 1072/4885CNR2 526/4885TDP1 2809/4885

“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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