SCHEMBL13991893

SCHEMBL13991893

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4A P47712 1/20 0.57
▸ PLA2G2A P14555 2/20 0.53
▸ EPHX2 P34913 8/20 0.49
▸ ALDH1A1 P00352 4/20 0.46
▸ F7 P08709 3/20 0.46
▸ CYP19A1 P11511 3/20 0.46
▸ F3 P13726 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ PTGS1 P23219 2/20 0.46
▸ PPARG P37231 2/20 0.46
▸ PPARD Q03181 2/20 0.46
▸ PPARA Q07869 2/20 0.46
▸ OXER1 Q8TDS5 2/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ RXRA P19793 1/20 0.46
▸ MAPT P10636 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ FFAR1 O14842 1/20 0.44
▸ NR1I2 O75469 1/20 0.44

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 0.84 EPHX2 (0.44) PLA2G4APLA2G2AEPHX2ALDH1A1OXER1
SCHEMBL13991902 0.79 EPHX2 (0.39) PLA2G4APLA2G2AEPHX2ALDH1A1KMT2A
SCHEMBL13286572 0.78 PLA2G4A (0.68) PLA2G4APLA2G2AEPHX2ALDH1A1KMT2A
SCHEMBL2770529 0.72 PLA2G4A (1.00) PLA2G4APLA2G2AEPHX2ALDH1A1KMT2A
SCHEMBL1877382 0.72 PLA2G4A (1.00) PLA2G4APLA2G2AEPHX2ALDH1A1KMT2A
SCHEMBL4927236 0.72 PLA2G4A (0.82) PLA2G4APLA2G2AEPHX2F7CYP19A1
SCHEMBL4795104 0.72 PLA2G4A (0.82) PLA2G4APLA2G2AEPHX2F7CYP19A1
SCHEMBL21319304 0.71 EPHX2 (0.78) EPHX2ALDH1A1F7CYP19A1F3
SCHEMBL28254961 0.69 PLA2G4A (0.55) PLA2G4APLA2G2AEPHX2LMNA
Valeric Acid SCHEMBL28842310 0.69 AKR1B1 (0.64) ALDH1A1F7CYP19A1F3KMT2A

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 PLA2G4A 1/4885PLA2G2A 3/4885EPHX2 140/4885

“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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