SCHEMBL19640450

SCHEMBL19640450

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NC(CSSc1ccccn1)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPT P10636 1/20 0.41
▸ EPHX2 P34913 3/20 0.36
▸ CNR1 P21554 3/20 0.36
▸ CNR2 P34972 2/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ FAAH O00519 3/20 0.36
▸ HDAC1 Q13547 5/20 0.35
▸ HDAC2 Q92769 5/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ SREBF2 Q12772 1/20 0.33
▸ HPGD P15428 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
SCHEMBL19640447 1.00 ALDH1A1 (0.41) ALDH1A1MAPTEPHX2CNR1CNR2
SCHEMBL19640541 0.86 ALDH1A1 (0.38) ALDH1A1MAPTEPHX2CNR1CNR2
SCHEMBL19640543 0.86 ALDH1A1 (0.38) ALDH1A1MAPTEPHX2CNR1CNR2
SCHEMBL19640383 0.82 ALDH1A1 (0.56) ALDH1A1MAPTCNR1CNR2ALOX12
SCHEMBL17790863 0.79 CNR1 (0.50) ALDH1A1MAPTEPHX2CNR1CNR2
SCHEMBL19651562 0.74 EHMT2 (0.40) ALDH1A1MAPTHDAC1HDAC2SMN1; SMN2
SCHEMBL19640751 0.74 ALDH1A1 (0.47) ALDH1A1MAPTCNR1CNR2ALOX12
SCHEMBL19640752 0.74 ALDH1A1 (0.47) ALDH1A1MAPTCNR1CNR2ALOX12
SCHEMBL19640404 0.72 SREBF2 (0.51) ALDH1A1MAPTEPHX2FAAHHDAC1
SCHEMBL19640405 0.72 SREBF2 (0.51) ALDH1A1MAPTEPHX2FAAHHDAC1

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 ALDH1A1 1220/4885MAPT 867/4885EPHX2 1066/4885

“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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