SCHEMBL7604397

SCHEMBL7604397

CC(=O)OC(C)OC(=O)C1C2CC3CC1CC(O)(C3)C2

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 16/20 0.37
EPHX2 P34913 2/20 0.37
HSD11B2 P80365 2/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL18157864 0.76 HSD11B1 (0.42) HSD11B1EPHX2HSD11B2
SCHEMBL19798632 0.73 HSD11B1 (0.42) HSD11B1EPHX2HSD11B2
SCHEMBL25454360 0.73 HSD11B1 (0.37) HSD11B1EPHX2HSD11B2
SCHEMBL28067737 0.69 HSD11B1 (0.41) HSD11B1EPHX2HSD11B2
SCHEMBL8099017 0.69 HSD11B1 (0.44) HSD11B1EPHX2HSD11B2
SCHEMBL12705446 0.69 EPHX2 (0.35) HSD11B1EPHX2HSD11B2
SCHEMBL25454364 0.69 HSD11B1 (0.33) HSD11B1HSD11B2
SCHEMBL20730932 0.68 CYP17A1 (0.50)
SCHEMBL19911078 0.68 HSD11B1 (0.38) HSD11B1EPHX2HSD11B2
SCHEMBL20129585 0.68 GRM5 (0.41) HSD11B1EPHX2HSD11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
WO-2010150840-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE 大日本住友製薬株式会社 (JP) 2010-12-29 WO 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-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 HSD11B1 85/4885EPHX2 2109/4885HSD11B2 131/4885

“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.