SCHEMBL19640749

SCHEMBL19640749

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)N[C@@H](CSSC(C)(C)CNC(=O)CC(O)C[N+](C)(C)C)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.38
▸ MAPT P10636 2/20 0.38
▸ CNR1 P21554 4/20 0.35
▸ FAAH O00519 1/20 0.35
▸ CNR2 P34972 3/20 0.33
▸ ALOX12 P18054 1/20 0.32
▸ FFAR1 O14842 1/20 0.30
▸ CYP19A1 P11511 1/20 0.30
▸ RXRA P19793 1/20 0.30
▸ PPARG P37231 1/20 0.30
▸ OXER1 Q8TDS5 1/20 0.30

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
SCHEMBL19640748 1.00 ALDH1A1 (0.38) ALDH1A1MAPTCNR1FAAHCNR2
SCHEMBL19656665 0.89 ALDH1A1 (0.38) ALDH1A1MAPTCNR1FAAHCNR2
SCHEMBL19640756 0.83 CNR1 (0.45) ALDH1A1MAPTCNR1FAAHCNR2
SCHEMBL19640389 0.81 ALDH1A1 (0.33) ALDH1A1MAPTCNR1FAAHCNR2
SCHEMBL19640390 0.81 ALDH1A1 (0.33) ALDH1A1MAPTCNR1FAAHCNR2
SCHEMBL19640632 0.81 ALDH1A1 (0.34) ALDH1A1MAPTCNR1CNR2
SCHEMBL19640631 0.81 ALDH1A1 (0.34) ALDH1A1MAPTCNR1CNR2
SCHEMBL19640752 0.81 ALDH1A1 (0.47) ALDH1A1MAPTCNR1FAAHCNR2
SCHEMBL19640751 0.81 ALDH1A1 (0.47) ALDH1A1MAPTCNR1FAAHCNR2
SCHEMBL19640553 0.78 EPHX2 (0.48) ALDH1A1MAPTCNR1FAAHCNR2

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-20170342046-A1 Fatty Acid Cysteine-Based Conjugates and Their Use in Treating Medical Disorders CATABASIS PHARMACEUTICALS, INC. 2017-11-30 — — US disclosed
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 ALDH1A1 1220/4885MAPT 867/4885CNR1 1037/4885

“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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