SCHEMBL7036873

SCHEMBL7036873

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
FABP3 P05413 3/20 0.50
TRPV1 Q8NER1 1/20 0.48
KDM4E B2RXH2 4/20 0.47
PPARG P37231 4/20 0.47
F7 P08709 3/20 0.47
F3 P13726 3/20 0.47
PPARD Q03181 3/20 0.47
PPARA Q07869 3/20 0.47
FFAR1 O14842 2/20 0.47
LMNA P02545 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP19A1 P11511 2/20 0.47
FABP4 P15090 2/20 0.47
HPGD P15428 2/20 0.47
ALOX15 P16050 2/20 0.47
NR4A2 P43354 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
DUSP3 P51452 1/20 0.47

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 0.96 ALDH1A1 (0.67) ALDH1A1FABP3TRPV1KDM4EPPARG
SCHEMBL3317694 0.96 ALDH1A1 (0.67) ALDH1A1FABP3TRPV1KDM4EPPARG
SCHEMBL4236798 0.96 ALDH1A1 (0.67) ALDH1A1FABP3TRPV1KDM4EPPARG
SCHEMBL6294264 0.94 ALDH1A1 (0.63) ALDH1A1FABP3TRPV1KDM4EPPARG
SCHEMBL3319829 0.89 FABP3 (0.54) ALDH1A1FABP3TRPV1KDM4EPPARG
SCHEMBL3319828 0.89 FABP3 (0.54) ALDH1A1FABP3TRPV1KDM4EPPARG
SCHEMBL4239573 0.89 FABP3 (0.54) ALDH1A1FABP3TRPV1KDM4EPPARG
SCHEMBL6292850 0.89 TRPV1 (0.58) ALDH1A1FABP3TRPV1KDM4EPPARG
SCHEMBL6292848 0.89 TRPV1 (0.58) ALDH1A1FABP3TRPV1KDM4EPPARG
SCHEMBL4282518 0.89 ALDH1A1 (0.55) ALDH1A1FABP3TRPV1KDM4EPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20030078299-A1 Anti-cancer nitro- and thia-fatty acids ALOX5, ALOX15, ALOX12 ALDH1A1 305/4885FABP3 780/4885TRPV1 3120/4885

“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.