SCHEMBL6907730

SCHEMBL6907730

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TRPV1 Q8NER1 2/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 2/20 0.38
SOAT1 P35610 1/20 0.38
FABP3 P05413 4/20 0.37
CNR1 P21554 1/20 0.36

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
SCHEMBL6931009 1.00 ALDH1A1 (0.41) ALDH1A1TRPV1TRPM8MAPTKDM4E
SCHEMBL6929123 0.81 ALDH1A1 (0.52) ALDH1A1TRPV1MAPT
SCHEMBL6261486 0.81 ALDH1A1 (0.52) ALDH1A1TRPV1MAPT
SCHEMBL8896820 0.81 ALDH1A1 (0.52) ALDH1A1TRPV1MAPT
SCHEMBL6380368 0.79 ALDH1A1 (0.48) ALDH1A1TRPV1MAPT
SCHEMBL3317697 0.78 ALDH1A1 (0.67) ALDH1A1TRPV1MAPTKDM4ESOAT1
SCHEMBL7036873 0.78 ALDH1A1 (0.61) ALDH1A1TRPV1MAPTKDM4ESOAT1
SCHEMBL3319829 0.78 FABP3 (0.54) ALDH1A1TRPV1MAPTKDM4EFABP3
SCHEMBL4239573 0.78 FABP3 (0.54) ALDH1A1TRPV1MAPTKDM4EFABP3
SCHEMBL3319828 0.78 FABP3 (0.54) ALDH1A1TRPV1MAPTKDM4EFABP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-20040254240-A1 Anti-cancer nitro- and thia-fatty acids ALOX5, ALOX15, ALOX12 ALDH1A1 282/4885TRPV1 2887/4885TRPM8 4567/4885

“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.