SCHEMBL4297200

SCHEMBL4297200

O=C1COc2ccc(C(=O)/C=C(\O)C(F)(F)C(F)(F)F)cc2N1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.63
MAPT P10636 5/20 0.63
PKM P14618 1/20 0.63
LMNA P02545 2/20 0.58
GAA P10253 2/20 0.52
SMYD3 Q9H7B4 1/20 0.46
MMP12 P39900 1/20 0.45
NR3C2 P08235 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TSHR P16473 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL4297203 1.00 ALDH1A1 (0.63) ALDH1A1MAPTPKMLMNAGAA
SCHEMBL4291123 0.91 ALDH1A1 (0.66) ALDH1A1MAPTPKMLMNAGAA
SCHEMBL4291128 0.91 ALDH1A1 (0.66) ALDH1A1MAPTPKMLMNAGAA
SCHEMBL4298441 0.82 ALDH1A1 (0.70) ALDH1A1MAPTPKMLMNAGAA
SCHEMBL4298444 0.82 ALDH1A1 (0.70) ALDH1A1MAPTPKMLMNAGAA
SCHEMBL4296045 0.81 ALDH1A1 (0.66) ALDH1A1MAPTPKMLMNAGAA
SCHEMBL4296048 0.81 ALDH1A1 (0.66) ALDH1A1MAPTPKMLMNAGAA
SCHEMBL5308812 0.78 ALDH1A1 (1.00) ALDH1A1MAPTPKMLMNAGAA
SCHEMBL532793 0.77 GAA (0.71) ALDH1A1MAPTPKMLMNAGAA
SCHEMBL31189953 0.74 ALDH1A1 (0.69) ALDH1A1MAPTPKMLMNAGAA

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 2708/4885MAPT 4442/4885PKM 2524/4885

“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.