SCHEMBL5385658

SCHEMBL5385658

BrCCCOc1ccc(Oc2cc[c]cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 11/20 0.44
PLA2G2A P14555 1/20 0.40
PTGS2 P35354 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
KCNA3 P22001 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL4630511 0.92 KCNA3 (0.41) LTA4HKCNA3
SCHEMBL5379670 0.90 LTA4H (0.41) LTA4HPLA2G2APTGS2
SCHEMBL3227774 0.84 KCNA3 (0.43) HRH3KCNA3
SCHEMBL28073630 0.84 KCNA3 (0.43) HRH3KCNA3
SCHEMBL5026563 0.84 KCNA3 (0.43) HRH3KCNA3
SCHEMBL2089077 0.82 LTA4H (0.66) LTA4H
SCHEMBL7014135 0.81 KCNA3 (0.37) KCNA3
SCHEMBL2530176 0.81 KCNA3 (0.50) LTA4HKCNA3
SCHEMBL5375466 0.80 LTA4H (0.68) LTA4HPLA2G2AHRH3KCNA3PPARA
SCHEMBL10732157 0.78 LTA4H (0.53) LTA4HPTGS2HRH3

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-20070276138-A1 Modulators of peroxisome proliferator activated receptors BROOKS DAWN A 2007-11-29 US disclosed
US-7192982-B2 Modulators of peroxisome proliferator activated receptors LIGAND PHARMACEUTICALS, INC. (US) 2007-03-20 US disclosed
US-20050020684-A1 Modulators of peroxisome proliferator activated receptors ELI LILLY AND COMPANY 2005-01-27 US disclosed
CN-1543451-A Receptor modulators activated by peroxizonal proliferators (ppar) 2004-11-03 CN disclosed
EP-1392637-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2004-03-03 EP disclosed
WO-2002100813-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2002-12-19 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 (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-20050020684-A1 Modulators of peroxisome proliferator activated receptors NCOA4, PPARG, PPARA LTA4H 2072/4885PLA2G2A 3159/4885PTGS2 2416/4885
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors PPARG, NCOA4, PPARA LTA4H 2124/4885PLA2G2A 3142/4885PTGS2 2271/4885

“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.