SCHEMBL5576489

SCHEMBL5576489

CC(C)(C)Cn1c(C(=O)O)c(O)c2ccc(Br)cc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.41
MAPK8 P45983 13/20 0.41
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GSK3B P49841 2/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
DNMT1 P26358 1/20 0.34
DPP4 P27487 1/20 0.34

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
SCHEMBL5576576 0.85 PTGDR2 (0.41) DPP4
SCHEMBL5576875 0.84 ALDH1A1 (0.50) MAPK8ALDH1A1SMN1; SMN2
SCHEMBL5576858 0.82 MAPT (0.43) MAPK8ALDH1A1SMN1; SMN2DPP4
SCHEMBL5238679 0.80 ALDH1A1 (0.50) MAPK8ALDH1A1SMN1; SMN2
SCHEMBL5577145 0.80 PTGDR2 (0.43) DPP4
SCHEMBL5238730 0.77 LMNA (0.41) MAPK8ALDH1A1
SCHEMBL5235788 0.72 KDM4E (0.41) MAPK8ALDH1A1SMN1; SMN2
SCHEMBL5233862 0.70 KDM4E (0.40) ALDH1A1SMN1; SMN2
SCHEMBL12933338 0.69 MEN1 (0.51) ALDH1A1SMN1; SMN2
SCHEMBL5235750 0.69 ADORA3 (0.40) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070117840-A1 Receptor antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US disclosed
EP-1604983-A1 RECEPTOR ANTAGONIST Takeda Pharmaceutical Company Limited (JP) 2005-12-14 EP 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-20070117840-A1 Receptor antagonist FSHR, NR4A1, GHRHR EGLN1 1334/4885MAPK8 1528/4885ALDH1A1 2961/4885

“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.