SCHEMBL13991914

SCHEMBL13991914

CC/C=C\CC(=O)C(=O)NCCCC(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 1/20 0.51
▸ PGR P06401 1/20 0.51
▸ ADORA3 P0DMS8 1/20 0.51
▸ PTGS2 P35354 1/20 0.51
▸ PDE4D Q08499 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.49
▸ CYP3A4 P08684 3/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ CYP1A2 P05177 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CYP2C19 P33261 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ EPHX2 P34913 8/20 0.39

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
SCHEMBL13991881 0.88 EPHX2 (0.44) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL13991902 0.83 EPHX2 (0.39) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL13991893 0.81 PLA2G4A (0.57) NR1I2ADORA3PTGS2ALDH1A1CYP3A4
SCHEMBL13991878 0.81 CYP1A2 (0.48) ALDH1A1CYP3A4CYP1A2KDM4EHPGD
SCHEMBL13991911 0.76 ALDH1A1 (0.51) ALDH1A1CYP3A4CYP1A2CYP2C19EPHX2
SCHEMBL4781039 0.76 PLA2G4A (0.67) ALDH1A1EPHX2
SCHEMBL27780836 0.73 CYP1A2 (0.47) ALDH1A1CYP3A4CYP1A2KDM4EHPGD
SCHEMBL25349245 0.72 CYP1A2 (0.53) ALDH1A1CYP3A4CYP1A2KDM4EHPGD
SCHEMBL50331 0.72 CYP1A2 (0.53) ALDH1A1CYP3A4CYP1A2KDM4EHPGD
SCHEMBL18924751 0.72 ADORA3 (0.89) NR1I2PGRADORA3PTGS2PDE4D

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 NR1I2 1461/4885PGR 4589/4885ADORA3 337/4885

“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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