SCHEMBL12313593

SCHEMBL12313593

CC(C)Oc1ccc(OC(COP(=O)(O)O)COP(=O)(O)O)cc1OC(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ INPPL1 O15357 2/20 0.38
▸ INPP5A Q14642 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ POLB P06746 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ ELANE P08246 1/20 0.35
▸ PIN1 Q13526 3/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PARP10 Q53GL7 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ PTPN5 P54829 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ MCL1 Q07820 1/20 0.33
▸ PDE4B Q07343 1/20 0.33

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
SCHEMBL2469681 0.89 IRAK4 (0.37) INPPL1INPP5AALDH1A1POLBIRAK4
SCHEMBL12313590 0.80 INPPL1 (0.55) INPPL1INPP5AALDH1A1PTPN5
SCHEMBL25241450 0.74 ALDH1A1 (0.39) ALDH1A1
SCHEMBL25284111 0.74 ALDH1A1 (0.39) ALDH1A1
SCHEMBL12337537 0.74 INPPL1 (0.51) INPPL1INPP5AALDH1A1MAPTMAPK1
SCHEMBL12337535 0.72 CYP3A4 (0.40) —
SCHEMBL2363073 0.71 MAOB (0.40) ALDH1A1IRAK4KMT2AMCL1
SCHEMBL12313586 0.69 INPPL1 (0.49) INPPL1ALDH1A1
SCHEMBL2354041 0.69 INPPL1 (0.49) INPPL1INPP5AALDH1A1IRAK4
SCHEMBL7325861 0.68 IRAK4 (0.43) ALDH1A1POLBIRAK4ELANEMAPT

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 4 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-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
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 1753/4885INPP5A 1715/4885ALDH1A1 2972/4885

“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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