SCHEMBL13991878

SCHEMBL13991878

CCOC(=O)CCCNC(=O)C(=O)CC

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.48
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ CYP2D6 P10635 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ EPHX2 P34913 9/20 0.44
▸ PLA2G4A P47712 1/20 0.44
▸ GAA P10253 2/20 0.43
▸ MGAM O43451 1/20 0.43
▸ SI P14410 1/20 0.43
▸ MGAM2 Q2M2H8 1/20 0.43

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
SCHEMBL13991911 0.95 ALDH1A1 (0.51) CYP1A2CYP3A4CYP2C19ALDH1A1EPHX2
SCHEMBL13991912 0.89 GAA (0.46) CYP1A2ALDH1A1EPHX2GAAMGAM
SCHEMBL13286569 0.85 TSHR (0.52) ALDH1A1SMN1; SMN2EPHX2PLA2G4A
SCHEMBL4781039 0.83 PLA2G4A (0.67) ALDH1A1EPHX2PLA2G4AGAA
SCHEMBL13991921 0.82 TSHR (0.55) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6
SCHEMBL13991914 0.81 NR1I2 (0.51) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6
SCHEMBL27780836 0.81 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6
SCHEMBL25349245 0.79 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6
SCHEMBL50331 0.79 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6
SCHEMBL13991880 0.79 EPHX2 (0.44) EPHX2PLA2G4AGAA

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 CYP1A2 837/4885CYP3A4 2045/4885CYP2C19 2540/4885

“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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