SCHEMBL4287213

SCHEMBL4287213

CC/C=C\C/C=C\C/C=C\CCCCCCCCOCC(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.64
ALDH1A1 P00352 9/20 0.63
CYP19A1 P11511 5/20 0.63
F7 P08709 5/20 0.63
F3 P13726 5/20 0.63
PPARG P37231 4/20 0.63
MAPT P10636 3/20 0.63
OXER1 Q8TDS5 3/20 0.63
PPARD Q03181 3/20 0.63
PPARA Q07869 3/20 0.63
CYP3A4 P08684 3/20 0.63
ALOX15 P16050 3/20 0.63
HSD17B10 Q99714 3/20 0.63
TDP1 Q9NUW8 3/20 0.63
FFAR1 O14842 3/20 0.63
KMT2A Q03164 2/20 0.63
KDM4E B2RXH2 2/20 0.63
LMNA P02545 2/20 0.63
HPGD P15428 2/20 0.63
FFAR4 Q5NUL3 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
SCHEMBL7718642 1.00 PTGS1 (0.64) PTGS1ALDH1A1CYP19A1F7F3
SCHEMBL6926291 1.00 PTGS1 (0.64) PTGS1ALDH1A1CYP19A1F7F3
SCHEMBL6926109 1.00 PTGS1 (0.64) PTGS1ALDH1A1CYP19A1F7F3
SCHEMBL6926111 1.00 PTGS1 (0.64) PTGS1ALDH1A1CYP19A1F7F3
SCHEMBL4287214 1.00 PTGS1 (0.64) PTGS1ALDH1A1CYP19A1F7F3
SCHEMBL6926294 1.00 PTGS1 (0.64) PTGS1ALDH1A1CYP19A1F7F3
SCHEMBL20830249 0.98 PTGS1 (0.66) PTGS1ALDH1A1CYP19A1F7F3
SCHEMBL7716329 0.93 PTGS1 (0.68) PTGS1ALDH1A1CYP19A1F7F3
SCHEMBL6927971 0.93 PTGS1 (0.68) PTGS1ALDH1A1CYP19A1F7F3
SCHEMBL6927968 0.93 PTGS1 (0.68) PTGS1ALDH1A1CYP19A1F7F3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009149496-A1 TREATMENT OF DIABETES AND COMPLICATIONS THEREOF AND RELATED DISORDERS CENTRAL NORTHERN ADELAIDE HEALTH SERVICE (AU) 2009-12-17 WO disclosed
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-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-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
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-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 (5 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 PTGS1 107/4885ALDH1A1 3631/4885CYP19A1 1843/4885
US-20050176815-A1 Anti-inflammatory nitro-and thia-fatty acids PTGES, PTGES2, ALOX5 PTGS1 5/4885ALDH1A1 884/4885CYP19A1 325/4885
US-20050222253-A1 Anti-cancer nitro- and thia-fatty acids ALOX5, ALOX15, ALOX12 PTGS1 12/4885ALDH1A1 316/4885CYP19A1 457/4885
US-20050176817-A1 Anti-inflammatory nitro- and thia- fatty acids PTGES, PTGES2, ALOX5 PTGS1 5/4885ALDH1A1 884/4885CYP19A1 325/4885
US-20050176816-A1 Anti-inflammatory nitro- and thia-fatty acids PTGES, PTGES2, ALOX5 PTGS1 5/4885ALDH1A1 884/4885CYP19A1 325/4885

“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.