SCHEMBL19656675

SCHEMBL19656675

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H](C=O)CS

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.52
▸ ALDH1A1 P00352 3/20 0.50
▸ ADORA3 P0DMS8 2/20 0.50
▸ F7 P08709 1/20 0.50
▸ CYP19A1 P11511 1/20 0.50
▸ F3 P13726 1/20 0.50
▸ RXRA P19793 1/20 0.50
▸ PTGS1 P23219 1/20 0.50
▸ PPARG P37231 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ PPARD Q03181 1/20 0.50
▸ PPARA Q07869 1/20 0.50
▸ OXER1 Q8TDS5 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ KCNK3 O14649 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ CNR2 P34972 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ SLC6A5 Q9Y345 1/20 0.49

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
SCHEMBL19656725 1.00 CNR1 (0.52) CNR1ALDH1A1ADORA3F7CYP19A1
SCHEMBL15750208 0.81 ALDH1A1 (0.56) CNR1ALDH1A1ADORA3F7CYP19A1
SCHEMBL19640412 0.80 CNR1 (0.51) CNR1ALDH1A1ADORA3F7CYP19A1
SCHEMBL19640411 0.80 CNR1 (0.51) CNR1ALDH1A1ADORA3F7CYP19A1
SCHEMBL19640762 0.80 CNR1 (0.51) CNR1ALDH1A1ADORA3F7CYP19A1
SCHEMBL19557776 0.79 ALDH1A1 (0.60) CNR1ALDH1A1ADORA3F7CYP19A1
SCHEMBL24450696 0.77 FAAH (0.53) KMT2ATHRB
SCHEMBL19501009 0.76 ALDH1A1 (0.61) CNR1ALDH1A1ADORA3F7CYP19A1
SCHEMBL4915624 0.75 ALDH1A1 (0.83) CNR1ALDH1A1ADORA3F7CYP19A1
SCHEMBL10331471 0.75 ALDH1A1 (0.64) CNR1ALDH1A1ADORA3F7CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170342046-A1 Fatty Acid Cysteine-Based Conjugates and Their Use in Treating Medical Disorders CATABASIS PHARMACEUTICALS, INC. 2017-11-30 — — 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-20170342046-A1 Fatty Acid Cysteine-Based Conjugates and Their Use in Treating Medical Disorders CPT2, FABP1, ACAA2 CNR1 1037/4885ALDH1A1 1220/4885ADORA3 2478/4885

“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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