SCHEMBL3604525

SCHEMBL3604525

CC(C)(C)OC(=O)N1CCc2ccc(O)cc2C1C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 11/20 0.50
ESR2 Q92731 1/20 0.46
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
KLK7 P49862 1/20 0.41
PARP1 P09874 1/20 0.41

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
SCHEMBL17726457 0.92 GHSR (0.56) GHSRESR2
SCHEMBL3993278 0.90 ESR2 (0.44) GHSRESR2SIGMAR1
SCHEMBL4481872 0.88 ESR2 (0.49) GHSRESR2
SCHEMBL3294838 0.84 ESR2 (0.52) GHSRESR2
SCHEMBL3616932 0.84 GHSR (0.48) GHSR
SCHEMBL3615809 0.84 GHSR (0.46) GHSR
SCHEMBL7511979 0.84 ESR2 (0.54) GHSRESR2
SCHEMBL17726266 0.83 GHSR (0.53) GHSR
SCHEMBL17726458 0.82 GHSR (0.55) GHSR
SCHEMBL3599583 0.82 GHSR (0.49) GHSR

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-20100168075-A1 Novel 2-Azetidinone Derivatives As Cholesterol Absorption Inhibitors For The Treatment Of Hyperlipidaemic Conditions ASTRAZENECA AB (SE) 2010-07-01 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-20100168075-A1 Novel 2-Azetidinone Derivatives As Cholesterol Absorption Inhibitors For The Treatment Of Hyperlipidaemic Conditions CYP46A1, NPC1L1, NPC1 GHSR 2377/4885ESR2 1452/4885TMEM97 311/4885

“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.