SCHEMBL13038110

SCHEMBL13038110

CCCCCC(C)c1ccccc1/C=C/[C@@H](O)[C@@H](O)CCCC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
FPR2 P25090 11/20 0.43
CYSLTR2 Q9NS75 3/20 0.38
CYSLTR1 Q9Y271 3/20 0.38
PDE5A O76074 1/20 0.35
PPARG P37231 2/20 0.34

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
SCHEMBL15942742 0.91 NFKB1 (0.50) NFKB1NFKB2RELAFPR2CYSLTR2
SCHEMBL18532079 0.88 NFKB1 (0.61) NFKB1NFKB2RELAFPR2PPARG
SCHEMBL19008213 0.86 FPR2 (0.50) NFKB1NFKB2RELAFPR2
SCHEMBL13409715 0.80 NFKB1 (0.46) NFKB1NFKB2RELAFPR2CYSLTR2
SCHEMBL4547585 0.79 NFKB1 (0.66) NFKB1NFKB2RELAFPR2PPARG
SCHEMBL589185 0.79 NFKB1 (0.66) NFKB1NFKB2RELAFPR2PPARG
SCHEMBL4547582 0.79 NFKB1 (0.66) NFKB1NFKB2RELAFPR2PPARG
SCHEMBL17402445 0.79 NFKB1 (0.66) NFKB1NFKB2RELAFPR2PPARG
SCHEMBL589186 0.79 NFKB1 (0.66) NFKB1NFKB2RELAFPR2PPARG
SCHEMBL15942746 0.79 NFKB1 (0.66) NFKB1NFKB2RELAFPR2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825271-B2 Lipoxin compounds and their use in treating cell proliferative disorders THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2010-11-02 US disclosed
US-7741369-B2 Lipoxin compounds and their use in treating cell proliferative disorders THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2010-06-22 US disclosed
US-20090270498-A1 Lipoxin Compounds and Their use in Treating Cell Proliferative Disorders THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2009-10-29 US disclosed
US-20090258945-A1 Lipoxin Compounds and Their Use in Treating Cell Proliferative Disorders THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2009-10-15 US disclosed
US-7294728-B2 Lipoxin compounds and their use in treating cell proliferative disorders SERHAN CHARLES N 2007-11-13 US disclosed
US-7288569-B2 Lipoxin compounds and their use in treating cell proliferative disorders THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2007-10-30 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 (2 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-20090258945-A1 Lipoxin Compounds and Their Use in Treating Cell Proliferative Disorders ALOX15, ALOX12, ALOX15B NFKB1 743/4885NFKB2 805/4885RELA 1937/4885
US-20090270498-A1 Lipoxin Compounds and Their use in Treating Cell Proliferative Disorders ALOX15, ALOX12, ALOX15B NFKB1 743/4885NFKB2 805/4885RELA 1937/4885

“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.