SCHEMBL18622734

SCHEMBL18622734

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C(=O)NCCSSCCN

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 3/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ ALDH1A1 P00352 7/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PPARA Q07869 2/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ FAAH O00519 1/20 0.34
▸ OXER1 Q8TDS5 3/20 0.33
▸ PTGS1 P23219 2/20 0.33
▸ CYP19A1 P11511 2/20 0.33
▸ RXRA P19793 2/20 0.33
▸ PPARG P37231 2/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ F7 P08709 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ F3 P13726 1/20 0.32

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
SCHEMBL18622735 0.87 TSHR (0.42) CNR1CNR2ALDH1A1SMN1; SMN2PPARA
SCHEMBL17637009 0.82 CNR1 (0.43) CNR1CNR2ALDH1A1FAAHPTGS1
SCHEMBL14739242 0.80 CNR1 (0.62) CNR1CNR2ALDH1A1FAAHOXER1
SCHEMBL14739244 0.80 CNR1 (0.62) CNR1CNR2ALDH1A1FAAHOXER1
SCHEMBL18622736 0.80 CNR1 (0.42) CNR1CNR2ALDH1A1SMN1; SMN2PPARA
SCHEMBL14746491 0.78 CNR1 (0.64) CNR1CNR2ALDH1A1FAAHMAPT
SCHEMBL1604608 0.78 CNR1 (0.64) CNR1CNR2ALDH1A1FAAHMAPT
SCHEMBL1604609 0.78 CNR1 (0.64) CNR1CNR2ALDH1A1FAAHMAPT
SCHEMBL12417786 0.78 APEX1 (0.38) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL17638029 0.77 CNR1 (0.31) CNR1ALDH1A1

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 526/4885ALDH1A1 810/4885

“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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