SCHEMBL25860654

SCHEMBL25860654

COC(=O)[C@H]1C(=O)CCO[C@@H]1c1ccc(C)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.40
ALOX5 P09917 1/20 0.39
PTPN1 P18031 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
GAA P10253 1/20 0.39
NR3C1 P04150 1/20 0.37
PTAFR P25105 1/20 0.37
HIF1A Q16665 1/20 0.37
EPAS1 Q99814 1/20 0.37

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
SCHEMBL22063576 0.90 PDE4D (0.48) PDE4DPTAFRHIF1AEPAS1
SCHEMBL25860646 0.86 ALDH1A1 (0.41) PDE4DPTPN1PPARDGAA
SCHEMBL22063759 0.84 ACHE (0.48) PTPN1PTAFR
SCHEMBL25860652 0.82 SLC6A3 (0.38)
SCHEMBL22063573 0.81 BACE1 (0.44)
SCHEMBL22063647 0.68 NFE2L2 (0.44)
SCHEMBL18289658 0.67 PDE4D (0.55) PDE4D
SCHEMBL22063652 0.67 ALDH1A1 (0.37)
SCHEMBL15394726 0.66 PPARD (0.86) ALOX5PTPN1PPARGPPARDGAA
SCHEMBL16505784 0.66 PDE4D (0.52) PDE4D

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-11691958-B2 Enantioselective cross dehydrogenative coupling reactions and compounds synthesized by the reactions NORTHWESTERN UNIVERSITY (US) 2023-07-04 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-11691958-B2 Enantioselective cross dehydrogenative coupling reactions and compounds synthesized by the reactions DUOX1, DUOX2, ALDH3A1 PDE4D 4775/4885ALOX5 137/4885PTPN1 4863/4885

“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.