SCHEMBL3319913

SCHEMBL3319913

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 2/20 0.49
ALDH1A1 P00352 8/20 0.48
CYP19A1 P11511 4/20 0.48
F7 P08709 3/20 0.48
F3 P13726 3/20 0.48
PPARG P37231 3/20 0.48
OXER1 Q8TDS5 3/20 0.48
PPARA Q07869 3/20 0.48
PTGS1 P23219 3/20 0.48
KMT2A Q03164 2/20 0.48
PPARD Q03181 2/20 0.48
ADORA3 P0DMS8 2/20 0.48
RXRA P19793 2/20 0.48
MAPT P10636 3/20 0.46
NR1I2 O75469 2/20 0.46
PTGS2 P35354 2/20 0.46
FFAR1 O14842 2/20 0.46
CYP3A4 P08684 2/20 0.46
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 2/20 0.46

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
SCHEMBL3319828 0.92 FABP3 (0.54) FABP3ALDH1A1CYP19A1F7F3
SCHEMBL3319829 0.92 FABP3 (0.54) FABP3ALDH1A1CYP19A1F7F3
SCHEMBL4239573 0.92 FABP3 (0.54) FABP3ALDH1A1CYP19A1F7F3
SCHEMBL6292850 0.85 TRPV1 (0.58) FABP3ALDH1A1CYP19A1F7F3
SCHEMBL6292848 0.85 TRPV1 (0.58) FABP3ALDH1A1CYP19A1F7F3
SCHEMBL6294264 0.82 ALDH1A1 (0.63) FABP3ALDH1A1CYP19A1F7F3
SCHEMBL7036873 0.81 ALDH1A1 (0.61) FABP3ALDH1A1CYP19A1F7F3
SCHEMBL3317697 0.81 ALDH1A1 (0.67) FABP3ALDH1A1CYP19A1F7F3
SCHEMBL3317694 0.81 ALDH1A1 (0.67) FABP3ALDH1A1CYP19A1F7F3
SCHEMBL4236798 0.81 ALDH1A1 (0.67) FABP3ALDH1A1CYP19A1F7F3

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
US-20100104546-A1 MODULATORS OF ANTIGEN-DEPENDENT T CELL PROLIFERATION CHILDREN, YOUTH AND WOMEN'S HEALTH SERVICE (AU) 2010-04-29 US disclosed
EP-2120916-A1 MODULATORS OF ANTIGEN-DEPENDENT T CELL PROLIFERATION Children, Youth and Womens's Health Service Incorporated (AU) 2009-11-25 EP 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
WO-2009006668-A1 MODULATORS OF ANTIGEN-DEPENDENT T CELL PROLIFERATION CHILDREN, YOUTH AND WOMEN'S HEALTH SERVICE (AU) 2009-01-15 WO 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 FABP3 97/4885ALDH1A1 3631/4885CYP19A1 1843/4885
US-20040254240-A1 Anti-cancer nitro- and thia-fatty acids ALOX5, ALOX15, ALOX12 FABP3 738/4885ALDH1A1 282/4885CYP19A1 708/4885
US-20030078299-A1 Anti-cancer nitro- and thia-fatty acids ALOX5, ALOX15, ALOX12 FABP3 780/4885ALDH1A1 305/4885CYP19A1 676/4885
US-20050176815-A1 Anti-inflammatory nitro-and thia-fatty acids PTGES, PTGES2, ALOX5 FABP3 289/4885ALDH1A1 884/4885CYP19A1 325/4885
US-20050222253-A1 Anti-cancer nitro- and thia-fatty acids ALOX5, ALOX15, ALOX12 FABP3 834/4885ALDH1A1 316/4885CYP19A1 457/4885
US-20050176817-A1 Anti-inflammatory nitro- and thia- fatty acids PTGES, PTGES2, ALOX5 FABP3 289/4885ALDH1A1 884/4885CYP19A1 325/4885
US-20030092762-A1 Anti-inflammatory nitro and thia-fatty acids PTGES2, PTGES, PTGS2 FABP3 396/4885ALDH1A1 856/4885CYP19A1 475/4885
US-20050176816-A1 Anti-inflammatory nitro- and thia-fatty acids PTGES, PTGES2, ALOX5 FABP3 289/4885ALDH1A1 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.