SCHEMBL671842

SCHEMBL671842

CC(C)c1cc(C=O)cc2c1OCCC2(C)C

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.33
RARG P13631 3/20 0.33
RXRA P19793 3/20 0.33
RARA P10276 2/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
HNF4A P41235 1/20 0.31

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
SCHEMBL671059 0.79 SSTR5 (0.36) RARBRARGRXRARARAPTGS1
SCHEMBL13423098 0.77 GABRA1 (0.39) RXRAPTGS1PTGS2HNF4A
SCHEMBL25187381 0.77 ALDH1A1 (0.40) RARBRARGRARA
SCHEMBL30287150 0.77 ALDH1A1 (0.40) RARBRARGRARA
SCHEMBL2599712 0.75 PTGS2 (0.36) RARBRARGRARAPTGS1PTGS2
SCHEMBL13423104 0.75 RXRA (0.48) RARBRARGRXRARARARXRB
SCHEMBL289444 0.71 RARB (0.55) RARBRARGRXRARARAHNF4A
SCHEMBL9053811 0.68 RARB (0.46) RARBRARGRXRARARAHNF4A
SCHEMBL16259587 0.66 PTGS1 (0.32) RXRARXRBPTGS1PTGS2HNF4A
SCHEMBL18211734 0.66 PTGS1 (0.41) RARBRARGRXRARARARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2605658-B1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME (US) 2016-03-23 EP disclosed
EP-2605658-B1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME (US) 2016-03-23 EP disclosed
US-8742110-B2 Spiroxazolidinone compounds MERCK SHARP & DOHME CORP. (US) 2014-06-03 US disclosed
US-8742110-B2 Spiroxazolidinone compounds MERCK SHARP & DOHME CORP. (US) 2014-06-03 US disclosed
US-8742110-B2 Spiroxazolidinone compounds MERCK SHARP & DOHME CORP. (US) 2014-06-03 US disclosed
EP-2605658-A1 SPIROXAZOLIDINONE COMPOUNDS Merck Sharp & Dohme Corp. (US) 2013-06-26 EP disclosed
US-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 US disclosed
US-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 US disclosed
US-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 US disclosed
WO-2012024183-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2012-02-23 WO disclosed
WO-2012024183-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2012-02-23 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-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS SSTR5, SSTR2, SSTR4 RARB 2563/4885RARG 3101/4885RXRA 2059/4885

“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.