SCHEMBL4288418

SCHEMBL4288418

Cc1cc(/C(C=O)=C/c2ccccc2)cc2c1OCC(=O)N2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
NR3C2 P08235 5/20 0.39
PGR P06401 3/20 0.39
GAA P10253 1/20 0.38
NR3C1 P04150 2/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
ADRB2 P07550 5/20 0.37
ADRB1 P08588 3/20 0.37
HTT P42858 1/20 0.36
MMP12 P39900 1/20 0.36
PARP1 P09874 1/20 0.35
TP53 P04637 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
SCHEMBL4288423 1.00 ALDH1A1 (0.44) ALDH1A1LMNANR3C2PGRGAA
SCHEMBL8238482 1.00 ALDH1A1 (0.44) ALDH1A1LMNANR3C2PGRGAA
SCHEMBL4291344 0.89 NR3C2 (0.48) NR3C2PGRNR3C1MAPTADRB2
SCHEMBL8239799 0.86 ALDH1A1 (0.44) ALDH1A1LMNANR3C2PGRGAA
SCHEMBL4286827 0.86 ALDH1A1 (0.44) ALDH1A1LMNANR3C2PGRGAA
SCHEMBL4286826 0.86 ALDH1A1 (0.44) ALDH1A1LMNANR3C2PGRGAA
SCHEMBL4293530 0.80 ALDH1A1 (0.64) ALDH1A1LMNANR3C2GAAMAPT
SCHEMBL4286786 0.80 ALDH1A1 (0.64) ALDH1A1LMNANR3C2GAAMAPT
SCHEMBL4286793 0.80 ALDH1A1 (0.64) ALDH1A1LMNANR3C2GAAMAPT
SCHEMBL13658814 0.77 ALDH1A1 (0.44) ALDH1A1LMNANR3C2GAAMAPT

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 1 patent. 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

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 ALDH1A1 2708/4885LMNA 2152/4885NR3C2 1/4885

“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.