SCHEMBL13745046

SCHEMBL13745046

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CC(CCCCC(=O)O)[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 5/20 0.62
▸ F7 P08709 4/20 0.62
▸ F3 P13726 4/20 0.62
▸ FFAR1 O14842 4/20 0.62
▸ PPARD Q03181 4/20 0.62
▸ PPARA Q07869 4/20 0.62
▸ PTGS1 P23219 2/20 0.62
▸ L3MBTL1 Q9Y468 2/20 0.62
▸ ESR1 P03372 1/20 0.62
▸ SRD5A2 P31213 1/20 0.62
▸ CASP6 P55212 1/20 0.62
▸ ALDH1A1 P00352 5/20 0.61
▸ LMNA P02545 3/20 0.61
▸ FABP4 P15090 3/20 0.61
▸ ALOX15 P16050 3/20 0.61
▸ HSD17B10 Q99714 3/20 0.61
▸ FFAR4 Q5NUL3 2/20 0.61
▸ KDM4E B2RXH2 2/20 0.61
▸ CYP3A4 P08684 2/20 0.61
▸ CYP19A1 P11511 2/20 0.61

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
SCHEMBL28640562 0.99 ALDH1A1 (0.63) PPARGF7F3FFAR1PPARD
SCHEMBL28640561 0.99 ALDH1A1 (0.63) PPARGF7F3FFAR1PPARD
SCHEMBL31542088 0.95 FFAR1 (0.65) PPARGF7F3FFAR1PPARD
SCHEMBL31542094 0.95 FFAR1 (0.65) PPARGF7F3FFAR1PPARD
SCHEMBL14167279 0.93 NFKB1 (0.67) PPARGF7F3FFAR1PPARD
SCHEMBL28957396 0.91 PPARG (0.64) PPARGF7F3FFAR1PPARD
SCHEMBL14166621 0.90 NFKB1 (0.60) PPARGF7F3FFAR1PPARD
SCHEMBL28633230 0.90 PPARG (0.65) PPARGF7F3FFAR1PPARD
SCHEMBL14166620 0.90 NFKB1 (0.60) PPARGF7F3FFAR1PPARD
SCHEMBL28633229 0.90 PPARG (0.65) PPARGF7F3FFAR1PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215895-A1 Therapeutic and carrier molecules PEPLIN BIOLIPIDS PTY LTD (AU) 2009-08-27 — — US disclosed
US-20090215895-A1 Therapeutic and carrier molecules PEPLIN BIOLIPIDS PTY LTD (AU) 2009-08-27 — — 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-20090215895-A1 Therapeutic and carrier molecules PHKG1, PHKG2, DGKB PPARG 239/4885F7 3825/4885F3 595/4885

“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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