SCHEMBL4236495

SCHEMBL4236495

CCN(c1ccc(Oc2ccc(CC3COCC(=O)N3C)cc2)cc1)c1ccccn1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.36
GRM5 P41594 8/20 0.36
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
OPRM1 P35372 2/20 0.32
IDH1 O75874 1/20 0.31
RARG P13631 1/20 0.31
RXRA P19793 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ITGB1 P05556 1/20 0.30
ITGA4 P13612 1/20 0.30
ITGB7 P26010 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL4232535 0.89 KDM4C (0.40) PPARGGRM5OPRM1IDH1RARG
SCHEMBL13757308 0.87 PPARG (0.37) PPARGFFAR1FFAR4OPRM1IDH1
SCHEMBL4232490 0.84 LIPE (0.35)
SCHEMBL4228448 0.83 GAA (0.34) ALDH1A1NPC1
SCHEMBL4508654 0.77 PPARG (0.35) PPARGOPRM1IDH1ITGB1ITGA4
SCHEMBL5335796 0.77 PPARG (0.35) PPARGOPRM1IDH1ITGB1ITGA4
SCHEMBL4238455 0.77 LTA4H (0.35) GRM5KDM4CALDH1A1NPC1
SCHEMBL4508746 0.76 KDM4C (0.41) PPARGOPRM1IDH1RARGRXRA
SCHEMBL4235041 0.75 NPC1 (0.33) GRM5ALDH1A1NPC1
SCHEMBL4239597 0.74 HSPB1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131420-A1 Novel Heterocyclic Analogs of Biphenyl Ethers ORCHID RESEARCH LABORATORIES, LTD. (IN) 2009-05-21 US claimed
WO-2007042878-A1 NOVEL HETEROCYCLIC ANALOGS OF BIPHENYL ETHERS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-04-19 WO claimed
US-20090131420-A1 Novel Heterocyclic Analogs of Biphenyl Ethers ORCHID RESEARCH LABORATORIES, LTD. (IN) 2009-05-21 US disclosed
US-20090131420-A1 Novel Heterocyclic Analogs of Biphenyl Ethers ORCHID RESEARCH LABORATORIES, LTD. (IN) 2009-05-21 US disclosed
US-20090131420-A1 Novel Heterocyclic Analogs of Biphenyl Ethers ORCHID RESEARCH LABORATORIES, LTD. (IN) 2009-05-21 US disclosed
WO-2007042878-A1 NOVEL HETEROCYCLIC ANALOGS OF BIPHENYL ETHERS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-04-19 WO disclosed
WO-2007042878-A1 NOVEL HETEROCYCLIC ANALOGS OF BIPHENYL ETHERS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-04-19 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 (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-20090131420-A1 Novel Heterocyclic Analogs of Biphenyl Ethers UGT2B7, CYP4B1, CYP1B1 PPARG 90/4885GRM5 3152/4885FFAR1 350/4885

“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.