SCHEMBL3316574

SCHEMBL3316574

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 5/20 0.59
▸ ALDH1A1 P00352 5/20 0.59
▸ PPARD Q03181 4/20 0.59
▸ PPARA Q07869 4/20 0.59
▸ F7 P08709 4/20 0.59
▸ F3 P13726 4/20 0.59
▸ FFAR1 O14842 3/20 0.59
▸ LMNA P02545 3/20 0.59
▸ FABP4 P15090 3/20 0.59
▸ ALOX15 P16050 3/20 0.59
▸ HSD17B10 Q99714 3/20 0.59
▸ MAPT P10636 3/20 0.59
▸ L3MBTL1 Q9Y468 2/20 0.59
▸ KDM4E B2RXH2 2/20 0.59
▸ CYP3A4 P08684 2/20 0.59
▸ CYP19A1 P11511 2/20 0.59
▸ HPGD P15428 2/20 0.59
▸ NR4A2 P43354 2/20 0.59
▸ TDP1 Q9NUW8 2/20 0.59
▸ PTGS1 P23219 2/20 0.59

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
SCHEMBL28957396 0.90 PPARG (0.64) PPARGALDH1A1PPARDPPARAF7
SCHEMBL28633230 0.88 PPARG (0.65) PPARGALDH1A1PPARDPPARAF7
SCHEMBL28633229 0.88 PPARG (0.65) PPARGALDH1A1PPARDPPARAF7
SCHEMBL14166943 0.87 ALDH1A1 (0.60) PPARGALDH1A1PPARDPPARAF7
SCHEMBL2370893 0.86 PPARG (0.61) PPARGALDH1A1PPARDPPARAF7
SCHEMBL2370886 0.86 PPARG (0.61) PPARGALDH1A1PPARDPPARAF7
SCHEMBL13745046 0.86 PPARG (0.62) PPARGALDH1A1PPARDPPARAF7
SCHEMBL28640561 0.85 ALDH1A1 (0.63) PPARGALDH1A1PPARDPPARAF7
SCHEMBL28640562 0.85 ALDH1A1 (0.63) PPARGALDH1A1PPARDPPARAF7
SCHEMBL18634654 0.84 FAAH (0.51) PPARGALDH1A1PPARDPPARAF7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050222253-A1 Anti-cancer nitro- and thia-fatty acids FERRANTE ANTONIO 2005-10-06 — — US claimed
US-6924309-B2 Anti-inflammatory nitro and thia-fatty acids CHILDREN, YOUTH AND WOMEN'S HEALTH SERVICE INCORPORATED (AU) 2005-08-02 — — US claimed
US-20040254240-A1 Anti-cancer nitro- and thia-fatty acids FERRANTE ANTONIO (AU) 2004-12-16 — — US claimed
EP-1218000-A4 ANTI-CANCER NITRO- AND THIA-FATTY ACIDS WOMENS & CHILDRENS HOSPITAL (AU) 2003-07-09 — — EP claimed
US-20030078299-A1 Anti-cancer nitro- and thia-fatty acids CHILDREN, YOUTH AND WOMEN'S HEALTH SERVICE INCORPORATED (AU) 2003-04-24 — — US claimed
JP-2003509460-A — — 2003-03-11 — — JP claimed
EP-1218000-A1 ANTI-CANCER NITRO- AND THIA-FATTY ACIDS WOMEN'S AND CHILDREN'S HOSPITAL (AU) 2002-07-03 — — EP claimed
WO-2001021172-A1 ANTI-CANCER NITRO- AND THIA-FATTY ACIDS WOMEN'S AND CHILDREN'S HOSPITAL ADELAIDE (AU) 2001-03-29 — — WO claimed
US-20100104546-A1 MODULATORS OF ANTIGEN-DEPENDENT T CELL PROLIFERATION CHILDREN, YOUTH AND WOMEN'S HEALTH SERVICE (AU) 2010-04-29 — — US disclosed
US-20090215895-A1 Therapeutic and carrier molecules PEPLIN BIOLIPIDS PTY LTD (AU) 2009-08-27 — — US disclosed
US-20050222253-A1 Anti-cancer nitro- and thia-fatty acids FERRANTE ANTONIO 2005-10-06 — — US disclosed
US-20050176815-A1 Anti-inflammatory nitro-and thia-fatty acids FERRANTE ANTONIO (AU) 2005-08-11 — — US disclosed
US-20050176816-A1 Anti-inflammatory nitro- and thia-fatty acids FERRANTE ANTONIO (AU) 2005-08-11 — — US disclosed
US-20050176817-A1 Anti-inflammatory nitro- and thia- fatty acids FERRANTE ANTONIO (AU) 2005-08-11 — — US disclosed
US-6924309-B2 Anti-inflammatory nitro and thia-fatty acids CHILDREN, YOUTH AND WOMEN'S HEALTH SERVICE INCORPORATED (AU) 2005-08-02 — — US disclosed
US-20040254240-A1 Anti-cancer nitro- and thia-fatty acids FERRANTE ANTONIO (AU) 2004-12-16 — — US disclosed
US-20030092762-A1 Anti-inflammatory nitro and thia-fatty acids PEPLIN BIOLIPIDS PTY LTD (AU) 2003-05-15 — — US disclosed
US-20030078299-A1 Anti-cancer nitro- and thia-fatty acids CHILDREN, YOUTH AND WOMEN'S HEALTH SERVICE INCORPORATED (AU) 2003-04-24 — — 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 (8 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 239/4885ALDH1A1 3631/4885PPARD 700/4885
US-20040254240-A1 Anti-cancer nitro- and thia-fatty acids ALOX5, ALOX15, ALOX12 PPARG 98/4885ALDH1A1 282/4885PPARD 226/4885
US-20030078299-A1 Anti-cancer nitro- and thia-fatty acids ALOX5, ALOX15, ALOX12 PPARG 92/4885ALDH1A1 305/4885PPARD 233/4885
US-20050176815-A1 Anti-inflammatory nitro-and thia-fatty acids PTGES, PTGES2, ALOX5 PPARG 80/4885ALDH1A1 884/4885PPARD 246/4885
US-20050222253-A1 Anti-cancer nitro- and thia-fatty acids ALOX5, ALOX15, ALOX12 PPARG 92/4885ALDH1A1 316/4885PPARD 221/4885
US-20050176817-A1 Anti-inflammatory nitro- and thia- fatty acids PTGES, PTGES2, ALOX5 PPARG 80/4885ALDH1A1 884/4885PPARD 246/4885
US-20030092762-A1 Anti-inflammatory nitro and thia-fatty acids PTGES2, PTGES, PTGS2 PPARG 68/4885ALDH1A1 856/4885PPARD 193/4885
US-20050176816-A1 Anti-inflammatory nitro- and thia-fatty acids PTGES, PTGES2, ALOX5 PPARG 80/4885ALDH1A1 884/4885PPARD 246/4885

“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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