SCHEMBL12337367

SCHEMBL12337367

CCCCOP(=O)(OCCCC)OCCOc1ccc(O)c(OC(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.41
▸ INPPL1 O15357 1/20 0.39
▸ ADRB2 P07550 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL2354036 0.94 INPPL1 (0.43) INPPL1ADRB2ALDH1A1
SCHEMBL12337534 0.86 CYP3A4 (0.45) CYP3A4MEN1GAAKMT2A
SCHEMBL12337535 0.86 CYP3A4 (0.40) CYP3A4GAAL3MBTL1
SCHEMBL2354041 0.85 INPPL1 (0.49) INPPL1ADRB2ALDH1A1
SCHEMBL2463713 0.84 MAOB (0.43) ADRB2TSHR
SCHEMBL2351410 0.79 INPPL1 (0.46) INPPL1ADRB2TSHRMEN1ALDH1A1
SCHEMBL12313531 0.76 PKM (0.48) ADRB2TSHR
SCHEMBL12313590 0.74 INPPL1 (0.55) INPPL1ALDH1A1L3MBTL1
SCHEMBL14930188 0.73 LTA4H (0.52) ADRB2TSHRMEN1NPC1ALDH1A1
SCHEMBL12337537 0.73 INPPL1 (0.51) INPPL1ALDH1A1MAPTKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 CYP3A4 37/4885INPPL1 1753/4885ADRB2 2189/4885

“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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