SCHEMBL2351410

SCHEMBL2351410

COc1cc(OCCOP(=O)(OCCOc2ccc(O)c(OC)c2)OCCOc2ccc(O)c(OC)c2)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ INPPL1 O15357 1/20 0.46
▸ MAOB P27338 1/20 0.43
▸ SLC22A6 Q4U2R8 1/20 0.42
▸ SLC22A8 Q8TCC7 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ HSP90AB1 P08238 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ ADRB2 P07550 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFE2L2 Q16236 1/20 0.42
▸ TRIM24 O15164 1/20 0.41
▸ HPGD P15428 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
SCHEMBL12337534 0.93 CYP3A4 (0.45) MEN1KMT2ACYP1A2GAACES2
SCHEMBL2351412 0.90 INPPL1 (0.53) INPPL1MAOBSLC22A6SLC22A8MEN1
SCHEMBL2351355 0.89 GSK3B (0.45) MAOBADRB2KDM4EHDAC6MAPK1
SCHEMBL2354036 0.84 INPPL1 (0.43) INPPL1MAOBADRB2ALDH1A1KDM4E
SCHEMBL12313533 0.80 PKM (0.51) MAOBADRB2KDM4EHDAC6
SCHEMBL13350390 0.79 CES2 (0.54) MAOBADRB2TSHRGAANFE2L2
SCHEMBL1772657 0.79 MAOB (0.50) MAOBSLC22A6SLC22A8MEN1RAB9A
SCHEMBL25759920 0.79 MAOB (0.50) MAOBCYP1A2ADRB2NFE2L2CES2
SCHEMBL12337367 0.79 CYP3A4 (0.41) INPPL1MEN1RAB9AKMT2AADRB2
SCHEMBL31540368 0.78 ADRB2 (0.49) MAOBSLC22A6SLC22A8MEN1RAB9A

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 INPPL1 1753/4885MAOB 1069/4885SLC22A6 390/4885

“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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