SCHEMBL10188337

SCHEMBL10188337

CC(C)C1CCCCC1N(C)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.34
ASGR1 P07306 1/20 0.33
GAA P10253 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
SLC6A4 P31645 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
EPHX1 P07099 2/20 0.30

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
SCHEMBL765452 0.85 HSD11B1 (0.39) HSD11B1ASGR1GAAHTR2AHTR2C
SCHEMBL2379950 0.82 ASGR1 (0.37) HSD11B1ASGR1GAASIGMAR1EPHX1
SCHEMBL21859729 0.82 ASGR1 (0.37) HSD11B1ASGR1GAASIGMAR1EPHX1
SCHEMBL1059473 0.82 ASGR1 (0.37) HSD11B1ASGR1GAASIGMAR1EPHX1
SCHEMBL24062393 0.81 HSD11B1 (0.39) HSD11B1ASGR1GAASIGMAR1EPHX1
SCHEMBL10129264 0.80 HSD11B1 (0.36) HSD11B1ASGR1GAAHTR2AHTR2C
SCHEMBL10239846 0.80 HSD11B1 (0.36) HSD11B1ASGR1GAAHTR2AHTR2C
SCHEMBL20095525 0.80 HSD11B1 (0.36) HSD11B1ASGR1GAAHTR2AHTR2C
SCHEMBL10188341 0.80 ASGR1 (0.33) HSD11B1ASGR1
SCHEMBL12734461 0.79 ASGR1 (0.37) HSD11B1ASGR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505783-B2 Method of producing pyrone and pyridone derivatives SHIONOGI & CO., LTD. (JP) 2016-11-29 US disclosed
US-20160002211-A1 METHOD OF PRODUCING PYRONE AND PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2016-01-07 US disclosed
US-20150031876-A1 METHOD FOR PRODUCING PYRONE AND PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2015-01-29 US disclosed
US-8865907-B2 Method of producing pyrone and pyridone derivatives SHIONOGI & CO., LTD. (JP) 2014-10-21 US disclosed
US-20120022251-A1 METHOD OF PRODUCING PYRONE AND PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2012-01-26 US disclosed
US-20120022251-A1 METHOD OF PRODUCING PYRONE AND PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2012-01-26 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 (3 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-20150031876-A1 METHOD FOR PRODUCING PYRONE AND PYRIDONE DERIVATIVES PNPO, PDXK, CYP3A5 HSD11B1 644/4885ASGR1 3831/4885GAA 3522/4885
US-20120022251-A1 METHOD OF PRODUCING PYRONE AND PYRIDONE DERIVATIVES PNPO, PDXK, CYP3A5 HSD11B1 667/4885ASGR1 3751/4885GAA 3690/4885
US-20160002211-A1 METHOD OF PRODUCING PYRONE AND PYRIDONE DERIVATIVES PNPO, PDXK, CYP3A5 HSD11B1 667/4885ASGR1 3751/4885GAA 3690/4885

“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.