SCHEMBL13991912

SCHEMBL13991912

CCOC(=O)CCNC(=O)C(=O)CC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.46
▸ MGAM O43451 1/20 0.46
▸ SI P14410 1/20 0.46
▸ MGAM2 Q2M2H8 1/20 0.46
▸ CYP1A2 P05177 1/20 0.42
▸ PLA2G2A P14555 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ TRPA1 O75762 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TOP2A P11388 1/20 0.38
▸ SOAT1 P35610 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MLYCD O95822 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.36
▸ CYP4F2 P78329 1/20 0.36
▸ CYP4A11 Q02928 1/20 0.36

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
SCHEMBL13991878 0.89 CYP1A2 (0.48) GAAMGAMSIMGAM2CYP1A2
SCHEMBL13991911 0.87 ALDH1A1 (0.51) GAAMGAMSIMGAM2CYP1A2
SCHEMBL15201482 0.86 GAA (0.52) GAAMGAMSIMGAM2CYP1A2
SCHEMBL7737241 0.82 EGLN1 (0.55) GAAMGAMSIMGAM2CYP1A2
SCHEMBL27805389 0.82 GAA (0.48) GAAMGAMSIMGAM2CYP1A2
SCHEMBL13991917 0.80 GAA (0.53) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL5571264 0.80 KMT2A (0.52) GAAMGAMSIMGAM2CYP1A2
SCHEMBL7088568 0.79 GAA (0.54) GAAMGAMSIMGAM2CYP1A2
SCHEMBL10081654 0.79 GAA (0.50) GAAMGAMSIMGAM2CYP1A2
SCHEMBL8578892 0.79 CYP1A2 (0.46) GAAMGAMSIMGAM2CYP1A2

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-20080319065-A1 Systemic and Intrathecal Effects of a Novel Series of Phospholipase A2 Inhibitors on Hyperalgesia and Spinal Pge2 Release THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-12-25 — — 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-20080319065-A1 Systemic and Intrathecal Effects of a Novel Series of Phospholipase A2 Inhibitors on Hyperalgesia and Spinal Pge2 Release PLA2G4A, PLA2G4B, PLA2G2A GAA 4399/4885MGAM 3982/4885SI 1341/4885

“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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