SCHEMBL12337537

SCHEMBL12337537

COc1ccc(OCCOP(=O)(O)O)cc1OC(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ INPPL1 O15357 2/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.45
▸ HIF1A Q16665 1/20 0.39
▸ PDE4B Q07343 2/20 0.39
▸ FDPS P14324 3/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HCRTR2 O43614 2/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ LMNA P02545 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
SCHEMBL12313590 0.93 INPPL1 (0.55) INPPL1NPSR1FDPSL3MBTL1LMNA
SCHEMBL12337231 0.89 INPPL1 (0.59) INPPL1HIF1AFDPSL3MBTL1DRD3
SCHEMBL2354041 0.88 INPPL1 (0.49) INPPL1NPSR1ALDH1A1INPP5A
SCHEMBL12313586 0.85 INPPL1 (0.49) INPPL1NPSR1ALDH1A1
SCHEMBL2351412 0.81 INPPL1 (0.53) INPPL1CYP1A2KMT2AALDH1A1MAPK1
SCHEMBL2354036 0.78 INPPL1 (0.43) INPPL1NPSR1ALDH1A1
SCHEMBL12313593 0.74 INPPL1 (0.38) INPPL1PDE4BKMT2AMAPTALDH1A1
SCHEMBL12337367 0.73 CYP3A4 (0.41) INPPL1L3MBTL1KMT2AMAPTALDH1A1
SCHEMBL13791695 0.73 CA12 (0.68) NPSR1CYP1A2KMT2ACA12CA1
SCHEMBL15323698 0.73 INPPL1 (0.53) INPPL1L3MBTL1CYP2C9CYP2C19MAPT

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 INPPL1 1753/4885NPSR1 3083/4885HIF1A 568/4885

“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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