SCHEMBL2363073

SCHEMBL2363073

CC(C)Oc1cc(OC(COP(=O)(OCc2ccccc2)OCc2ccccc2)COP(=O)(OCc2ccccc2)OCc2ccccc2)ccc1O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ EDNRA P25101 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ GCK P35557 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MCL1 Q07820 2/20 0.36
▸ CETP P11597 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL12313541 0.87 MAOB (0.37) MAOBTSHREDNRAGSK3BBACE1
SCHEMBL2463713 0.84 MAOB (0.43) MAOBTSHREDNRAGSK3BBACE1
SCHEMBL2355756 0.84 AKR1C3 (0.38) TSHRGCKMEN1KMT2AALDH1A1
SCHEMBL12337535 0.82 CYP3A4 (0.40) L3MBTL1
SCHEMBL2469681 0.81 IRAK4 (0.37) IRAK4KMT2AALDH1A1
SCHEMBL12313531 0.77 PKM (0.48) MAOBTSHREDNRAGSK3BBACE1
SCHEMBL2352357 0.77 MAOB (0.57) MAOBEDNRAGSK3BBACE1MCL1
SCHEMBL31480852 0.73 TSHR (0.58) TSHRCETPALDH1A1LMNA
SCHEMBL31480813 0.73 TSHR (0.58) TSHRCETPALDH1A1LMNA
SCHEMBL2354036 0.72 INPPL1 (0.43) MAOBIRAK4ALDH1A1

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
EP-2348859-B1 PRODRUGS OF OXAZOLIDINONE CETP INHIBITORS MERCK SHARP & DOHME (US) 2013-12-04 — — EP disclosed
US-8354454-B2 Prodrugs of oxazolidinone CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2013-01-15 — — US disclosed
US-20110218177-A1 PRODRUGS OF OXAZOLIDINONE CETP INHIBITORS MERCK SHARP & DOHME LLC 2011-09-08 — — US disclosed
EP-2348859-A1 PRODRUGS OF OXAZOLIDINONE CETP INHIBITORS Merck Sharp & Dohme Corp. (US) 2011-08-03 — — EP disclosed
WO-2010039474-A1 PRODRUGS OF OXAZOLIDINONE CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-04-08 — — 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-20110218177-A1 PRODRUGS OF OXAZOLIDINONE CETP INHIBITORS CETP, SLCO2B1, OXA1L MAOB 1069/4885TSHR 3227/4885EDNRA 2905/4885

“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.

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