SCHEMBL4228448

SCHEMBL4228448

CCN(c1ccc(Oc2ccc(CC3COCC(=O)N3C)cc2)cc1)c1ccc([N+](=O)[O-])cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PKM P14618 1/20 0.32
PGR P06401 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 4/20 0.32
LTA4H P09960 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
POLB P06746 1/20 0.32
HSPB1 P04792 1/20 0.31
MAPT P10636 3/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KCNH2 Q12809 1/20 0.31
AR P10275 1/20 0.30
ATM Q13315 1/20 0.30
LMNA P02545 2/20 0.30
SMN1; SMN2 Q16637 2/20 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
SCHEMBL14543373 0.91 GAA (0.33) GAAL3MBTL1PKMPGRNPC1
SCHEMBL4239597 0.90 HSPB1 (0.35) GAAL3MBTL1HSPB1ATM
SCHEMBL4239437 0.90 PKM (0.35) GAAL3MBTL1PKMNPC1RAB9A
SCHEMBL4505020 0.88 GAA (0.35) GAAL3MBTL1PKMPGRNPC1
SCHEMBL5339982 0.88 GAA (0.35) GAAL3MBTL1PKMPGRNPC1
SCHEMBL4234070 0.86 ALDH1A1 (0.35) GAAL3MBTL1PKMPGRNPC1
SCHEMBL4232490 0.84 LIPE (0.35) L3MBTL1
SCHEMBL5333700 0.83 GAA (0.35) GAAL3MBTL1PKMPGRNPC1
SCHEMBL4513857 0.83 GAA (0.35) GAAL3MBTL1PKMPGRNPC1
SCHEMBL4236495 0.83 PPARG (0.36) NPC1ALDH1A1

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-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

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 GAA 788/4885L3MBTL1 4518/4885PKM 3270/4885

“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.