SCHEMBL6294221

SCHEMBL6294221

CCCCCCCCCCCCCCCCCC(O)C[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 8/20 0.50
FFAR1 O14842 2/20 0.48
FFAR4 Q5NUL3 1/20 0.48
ALDH1A1 P00352 2/20 0.48
NFKB1 P19838 1/20 0.47
PSMD14 O00487 2/20 0.43
PLA2G1B P04054 2/20 0.43
MMP2 P08253 2/20 0.43
ATG4B Q9Y4P1 2/20 0.43
HSP90AA1 P07900 1/20 0.43
RAD52 P43351 1/20 0.43
LAP3 P28838 1/20 0.41
CA2 P00918 1/20 0.41
DAGLA Q9Y4D2 1/20 0.41

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
SCHEMBL11692164 1.00 GPR84 (0.50) GPR84FFAR1FFAR4ALDH1A1NFKB1
SCHEMBL6382813 1.00 GPR84 (0.50) GPR84FFAR1FFAR4ALDH1A1NFKB1
SCHEMBL10906089 1.00 GPR84 (0.50) GPR84FFAR1FFAR4ALDH1A1NFKB1
SCHEMBL11624224 1.00 GPR84 (0.50) GPR84FFAR1FFAR4ALDH1A1NFKB1
SCHEMBL10947381 1.00 GPR84 (0.50) GPR84FFAR1FFAR4ALDH1A1NFKB1
SCHEMBL11689543 1.00 GPR84 (0.50) GPR84FFAR1FFAR4ALDH1A1NFKB1
SCHEMBL11692251 1.00 GPR84 (0.50) GPR84FFAR1FFAR4ALDH1A1NFKB1
SCHEMBL6261483 0.98 NFKB1 (0.48) GPR84FFAR1FFAR4ALDH1A1NFKB1
SCHEMBL6776556 0.92 ALDH1A1 (0.44) GPR84FFAR1FFAR4ALDH1A1NFKB1
SCHEMBL11877387 0.86 ALDH1A1 (0.40) GPR84FFAR1FFAR4ALDH1A1NFKB1

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 14 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 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
EP-1218333-A4 ANTI-INFLAMMATORY NITRO- AND THIA- FATTY ACIDS WOMENS & CHILDRENS HOSPITAL (AU) 2003-07-09 EP disclosed
EP-1218000-A4 ANTI-CANCER NITRO- AND THIA-FATTY ACIDS WOMENS & CHILDRENS HOSPITAL (AU) 2003-07-09 EP 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
EP-1218000-A1 ANTI-CANCER NITRO- AND THIA-FATTY ACIDS WOMEN'S AND CHILDREN'S HOSPITAL (AU) 2002-07-03 EP disclosed
EP-1218333-A1 ANTI-INFLAMMATORY NITRO- AND THIA- FATTY ACIDS WOMEN'S AND CHILDREN'S HOSPITAL (AU) 2002-07-03 EP disclosed
WO-2001021575-A1 ANTI-INFLAMMATORY NITRO- AND THIA- FATTY ACIDS WOMEN'S AND CHILDREN'S HOSPITAL ADELAIDE (AU) 2001-03-29 WO disclosed
WO-2001021172-A1 ANTI-CANCER NITRO- AND THIA-FATTY ACIDS WOMEN'S AND CHILDREN'S HOSPITAL ADELAIDE (AU) 2001-03-29 WO 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 (7 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-20040254240-A1 Anti-cancer nitro- and thia-fatty acids ALOX5, ALOX15, ALOX12 GPR84 1041/4885FFAR1 177/4885FFAR4 458/4885
US-20030078299-A1 Anti-cancer nitro- and thia-fatty acids ALOX5, ALOX15, ALOX12 GPR84 877/4885FFAR1 158/4885FFAR4 392/4885
US-20050176815-A1 Anti-inflammatory nitro-and thia-fatty acids PTGES, PTGES2, ALOX5 GPR84 992/4885FFAR1 163/4885FFAR4 352/4885
US-20050222253-A1 Anti-cancer nitro- and thia-fatty acids ALOX5, ALOX15, ALOX12 GPR84 890/4885FFAR1 288/4885FFAR4 705/4885
US-20050176817-A1 Anti-inflammatory nitro- and thia- fatty acids PTGES, PTGES2, ALOX5 GPR84 992/4885FFAR1 163/4885FFAR4 352/4885
US-20030092762-A1 Anti-inflammatory nitro and thia-fatty acids PTGES2, PTGES, PTGS2 GPR84 1262/4885FFAR1 188/4885FFAR4 369/4885
US-20050176816-A1 Anti-inflammatory nitro- and thia-fatty acids PTGES, PTGES2, ALOX5 GPR84 992/4885FFAR1 163/4885FFAR4 352/4885

“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.