SCHEMBL4295952

SCHEMBL4295952

O=C1COc2ccc(C3=Cc4ccc(OCCO)cc4OC3c3ccccc3)cc2N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 4/20 0.43
NR3C2 P08235 4/20 0.43
AR P10275 3/20 0.43
PGR P06401 3/20 0.43
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 1/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
KDM1A O60341 1/20 0.41
CPT1A P50416 3/20 0.39
CPT2 P23786 2/20 0.39
CPT1B Q92523 2/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
PARP1 P09874 2/20 0.39
HTR1A P08908 2/20 0.39
DRD2 P14416 1/20 0.39

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
SCHEMBL4299902 0.88 MAPT (0.53) NR3C1NR3C2ARPGRKMT2A
SCHEMBL4288569 0.85 PARP1 (0.39) NR3C1NR3C2ARPGRKMT2A
SCHEMBL4295860 0.84 PARP1 (0.40) NR3C1NR3C2ARPGRKMT2A
SCHEMBL4291199 0.84 PARP1 (0.43) NR3C1NR3C2ARPGRKMT2A
SCHEMBL4288461 0.83 NR3C2 (0.49) NR3C1NR3C2ARPGRKMT2A
SCHEMBL4289236 0.83 NR3C2 (0.46) NR3C1NR3C2ARPGRKMT2A
SCHEMBL8238941 0.83 NR3C2 (0.46) NR3C1NR3C2ARPGRKMT2A
SCHEMBL4291418 0.82 PARP1 (0.41) NR3C1NR3C2ARPGRKMT2A
SCHEMBL4286687 0.81 MAPT (0.54) NR3C1NR3C2ARPGRKMT2A
SCHEMBL4293996 0.80 NR3C2 (0.44) NR3C1NR3C2ARPGRKMT2A

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-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
EP-1971596-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS Takeda Pharmaceutical Company Limited (JP) 2008-09-24 EP disclosed
WO-2007077961-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-12 WO disclosed
WO-2007077961-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-12 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-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands NR3C2, NR3C1, MC2R NR3C1 2/4885NR3C2 1/4885AR 60/4885

“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.