SCHEMBL6293227

SCHEMBL6293227

CCCCCC=CCC=CCC=CCCCCCOCC(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.69
ALDH1A1 P00352 5/20 0.63
PPARG P37231 5/20 0.63
F7 P08709 4/20 0.63
F3 P13726 4/20 0.63
PPARD Q03181 4/20 0.63
PPARA Q07869 4/20 0.63
FFAR1 O14842 3/20 0.63
KDM4E B2RXH2 2/20 0.63
LMNA P02545 2/20 0.63
CYP3A4 P08684 2/20 0.63
CYP19A1 P11511 2/20 0.63
FABP4 P15090 2/20 0.63
HPGD P15428 2/20 0.63
ALOX15 P16050 2/20 0.63
PTGS1 P23219 2/20 0.63
AKR1C3 P42330 2/20 0.63
NR4A2 P43354 2/20 0.63
HSD17B10 Q99714 2/20 0.63
TDP1 Q9NUW8 2/20 0.63

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
SCHEMBL6923085 1.00 EPHX2 (0.69) EPHX2ALDH1A1PPARGF7F3
SCHEMBL6293226 1.00 EPHX2 (0.69) EPHX2ALDH1A1PPARGF7F3
SCHEMBL7716340 0.98 EPHX2 (0.71) EPHX2ALDH1A1PPARGF7F3
SCHEMBL6928120 0.98 EPHX2 (0.71) EPHX2ALDH1A1PPARGF7F3
SCHEMBL1627821 0.92 EPHX2 (0.71) EPHX2PPARGF7F3PPARD
SCHEMBL1602949 0.92 EPHX2 (0.62) EPHX2ALDH1A1PPARGF7F3
SCHEMBL1602954 0.92 EPHX2 (0.62) EPHX2ALDH1A1PPARGF7F3
SCHEMBL1627823 0.92 EPHX2 (0.71) EPHX2PPARGF7F3PPARD
SCHEMBL1627678 0.92 EPHX2 (0.71) EPHX2PPARGF7F3PPARD
SCHEMBL1627680 0.92 EPHX2 (0.71) EPHX2PPARGF7F3PPARD

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 17 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
EP-0904072-A4 METHODS OF TREATING IMMUNOPATHOLOGIES USING POLYUNSATURATED FATTYACIDS PEPTIDE TECHNOLOGY PTY LTD (AU) 2003-07-30 EP disclosed
EP-1218000-A4 ANTI-CANCER NITRO- AND THIA-FATTY ACIDS WOMENS & CHILDRENS HOSPITAL (AU) 2003-07-09 EP disclosed
EP-1218000-A1 ANTI-CANCER NITRO- AND THIA-FATTY ACIDS WOMEN'S AND CHILDREN'S HOSPITAL (AU) 2002-07-03 EP disclosed
US-6376688-B1 Modified polyunsaturated fatty acids PEPTIDE TECHNOLOGY LIMITED (AU) 2002-04-23 US disclosed
EP-0869941-B1 MODIFIED POLYUNSATURATED FATTY ACIDS PEPTECH LTD (AU) 2001-12-12 EP disclosed
US-6262119-B1 ADMINISTERING POLYUNSATURATED FATTY ACID CONTAINING 18-25 CARBONS, 1-6 DOUBLE BONDS AND HAS ONE OR TWO SUBSTITUTIONS FOR THERAPY OF T-CELL MEDIATED DISEASES SUCH AS DIABETES, MULTIPLE SCLEROSIS, RHEUMATOID ARTHRITIS, HERPES SIMPLEX ETC. PEPTIDE TECHNOLOGY LIMITED (AU) 2001-07-17 US disclosed
WO-2001021172-A1 ANTI-CANCER NITRO- AND THIA-FATTY ACIDS WOMEN'S AND CHILDREN'S HOSPITAL ADELAIDE (AU) 2001-03-29 WO disclosed
EP-0904072-A1 METHODS OF TREATING IMMUNOPATHOLOGIES USING POLYUNSATURATED FATTYACIDS Peptide Technology Pty. Ltd. (AU) 1999-03-31 EP disclosed
EP-0869941-A1 MODIFIED POLYUNSATURATED FATTY ACIDS PEPTIDE TECHNOLOGY LTD (AU) 1998-10-14 EP disclosed
EP-0869941-A4 1998-10-14 EP disclosed
WO-1997038688-A1 METHODS OF TREATING IMMUNOPATHOLOGIES USING POLYUNSATURATED FATTYACIDS PEPTIDE TECHNOLOGY PTY. LIMITED (AU) 1997-10-23 WO disclosed
WO-1996011908-A1 MODIFIED POLYUNSATURATED FATTY ACIDS PEPTIDE TECHNOLOGY LIMITED (AU) 1996-04-25 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 (4 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-20050176815-A1 Anti-inflammatory nitro-and thia-fatty acids PTGES, PTGES2, ALOX5 EPHX2 159/4885ALDH1A1 884/4885PPARG 80/4885
US-20050222253-A1 Anti-cancer nitro- and thia-fatty acids ALOX5, ALOX15, ALOX12 EPHX2 160/4885ALDH1A1 316/4885PPARG 92/4885
US-20050176817-A1 Anti-inflammatory nitro- and thia- fatty acids PTGES, PTGES2, ALOX5 EPHX2 159/4885ALDH1A1 884/4885PPARG 80/4885
US-20050176816-A1 Anti-inflammatory nitro- and thia-fatty acids PTGES, PTGES2, ALOX5 EPHX2 159/4885ALDH1A1 884/4885PPARG 80/4885

“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.