SCHEMBL21041289

SCHEMBL21041289

Cc1nn(C2CCCCO2)c(C)c1/C=C/C(=O)OC(=O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP4F2 P78329 1/20 0.30
▸ CYP4A11 Q02928 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
SCHEMBL21041292 0.84 GAA (0.38) GAAALDH1A1CYP4F2CYP4A11
SCHEMBL22713006 0.82 GAA (0.50) GAAALDH1A1CYP4F2CYP4A11
SCHEMBL22735145 0.74 KDM5B (0.34) CYP4F2CYP4A11
SCHEMBL21041290 0.71 ALDH1A1 (0.41) GAAALDH1A1CYP4F2CYP4A11
SCHEMBL22713059 0.71 ALDH1A1 (0.41) GAAALDH1A1CYP4F2CYP4A11
SCHEMBL15445676 0.69 GAA (0.47) GAAALDH1A1CYP4F2CYP4A11
SCHEMBL21152701 0.68 GAA (0.51) GAAALDH1A1CYP4F2CYP4A11
SCHEMBL30867716 0.67 GAA (0.36) GAAALDH1A1CYP4F2CYP4A11
SCHEMBL21002088 0.66 GAA (0.49) GAAALDH1A1CYP4F2CYP4A11
SCHEMBL17675453 0.66 GAA (0.49) GAAALDH1A1CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210198235-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. 2021-07-01 — — US disclosed
US-20200377510-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. 2020-12-03 — — US disclosed
WO-2019103897-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. (US) 2019-05-31 — — WO 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 (2 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-20200377510-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF SHARPIN, PIR, THPO GAA 4378/4885ALDH1A1 421/4885CYP4F2 3255/4885
US-20210198235-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF THPO, PIR, PAK6 GAA 3618/4885ALDH1A1 228/4885CYP4F2 2378/4885

“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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