SCHEMBL6294264

SCHEMBL6294264

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.63
TRPV1 Q8NER1 1/20 0.55
FABP3 P05413 3/20 0.51
PPARG P37231 4/20 0.50
FFAR1 O14842 3/20 0.50
PPARD Q03181 3/20 0.50
PPARA Q07869 3/20 0.50
F7 P08709 3/20 0.50
F3 P13726 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP19A1 P11511 2/20 0.50
FABP4 P15090 2/20 0.50
HPGD P15428 2/20 0.50
ALOX15 P16050 2/20 0.50
NR4A2 P43354 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TDP1 Q9NUW8 2/20 0.50

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
SCHEMBL3317697 0.98 ALDH1A1 (0.67) ALDH1A1TRPV1FABP3PPARGFFAR1
SCHEMBL3317694 0.98 ALDH1A1 (0.67) ALDH1A1TRPV1FABP3PPARGFFAR1
SCHEMBL4236798 0.98 ALDH1A1 (0.67) ALDH1A1TRPV1FABP3PPARGFFAR1
SCHEMBL7036873 0.94 ALDH1A1 (0.61) ALDH1A1TRPV1FABP3PPARGFFAR1
SCHEMBL6292850 0.94 TRPV1 (0.58) ALDH1A1TRPV1FABP3PPARGFFAR1
SCHEMBL6292848 0.94 TRPV1 (0.58) ALDH1A1TRPV1FABP3PPARGFFAR1
SCHEMBL4239576 0.91 ALDH1A1 (0.55) ALDH1A1TRPV1FABP3PPARGFFAR1
SCHEMBL4282518 0.91 ALDH1A1 (0.55) ALDH1A1TRPV1FABP3PPARGFFAR1
SCHEMBL4239573 0.87 FABP3 (0.54) ALDH1A1TRPV1FABP3PPARGFFAR1
SCHEMBL3319828 0.87 FABP3 (0.54) ALDH1A1TRPV1FABP3PPARGFFAR1

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 10 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
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-20050176817-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-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 ALDH1A1 3631/4885TRPV1 34/4885FABP3 97/4885
US-20040254240-A1 Anti-cancer nitro- and thia-fatty acids ALOX5, ALOX15, ALOX12 ALDH1A1 282/4885TRPV1 2887/4885FABP3 738/4885
US-20030078299-A1 Anti-cancer nitro- and thia-fatty acids ALOX5, ALOX15, ALOX12 ALDH1A1 305/4885TRPV1 3120/4885FABP3 780/4885
US-20050176815-A1 Anti-inflammatory nitro-and thia-fatty acids PTGES, PTGES2, ALOX5 ALDH1A1 884/4885TRPV1 1291/4885FABP3 289/4885
US-20050222253-A1 Anti-cancer nitro- and thia-fatty acids ALOX5, ALOX15, ALOX12 ALDH1A1 316/4885TRPV1 3232/4885FABP3 834/4885
US-20050176817-A1 Anti-inflammatory nitro- and thia- fatty acids PTGES, PTGES2, ALOX5 ALDH1A1 884/4885TRPV1 1291/4885FABP3 289/4885
US-20030092762-A1 Anti-inflammatory nitro and thia-fatty acids PTGES2, PTGES, PTGS2 ALDH1A1 856/4885TRPV1 1292/4885FABP3 396/4885
US-20050176816-A1 Anti-inflammatory nitro- and thia-fatty acids PTGES, PTGES2, ALOX5 ALDH1A1 884/4885TRPV1 1291/4885FABP3 289/4885

“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.