SCHEMBL2353609

SCHEMBL2353609

COc1cc(OCCOP(=O)(OCc2ccccc2)OCc2ccccc2)ccc1OC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ LMNA P02545 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ POLB P06746 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMPD1 P17405 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ HCRTR2 O43614 3/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ PTGS1 P23219 1/20 0.41
▸ MAOB P27338 1/20 0.41

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
SCHEMBL2352673 0.84 MTNR1A (0.48) TSHRNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL2351355 0.84 GSK3B (0.45) LMNAMAPTL3MBTL1KDM4ESMPD1
SCHEMBL19712578 0.84 MAOB (0.55) TSHRNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL6195352 0.79 MAOB (0.55) NPC1HPGDRAB9ASMN1; SMN2LMNA
SCHEMBL4627636 0.76 NPC1 (0.60) NPC1HPGDRAB9ASMN1; SMN2KDM4E
SCHEMBL6199290 0.76 MTNR1A (0.57) NPC1HPGDRAB9ASMN1; SMN2MAPT
SCHEMBL19225758 0.76 NPC1 (0.48) NPC1HPGDRAB9ASMN1; SMN2LMNA
SCHEMBL8000403 0.76 MAOB (0.57) SMN1; SMN2L3MBTL1MEN1KMT2ASMPD1
SCHEMBL18066371 0.76 PTPN1 (0.51) TSHRLMNAL3MBTL1KDM4EPTPN1
SCHEMBL18066374 0.76 PTPN1 (0.51) NPC1HPGDRAB9ASMN1; SMN2LMNA

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 TSHR 3227/4885NPC1 21/4885HPGD 130/4885

“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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