SCHEMBL2352673

SCHEMBL2352673

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.48
▸ MTNR1B P49286 2/20 0.48
▸ APP P05067 1/20 0.48
▸ PTGS1 P23219 1/20 0.48
▸ TSHR P16473 1/20 0.47
▸ POLB P06746 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ CCR5 P51681 1/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LTA4H P09960 1/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43

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
SCHEMBL2353609 0.84 TSHR (0.45) PTGS1TSHRPOLBHDAC1KMT2A
SCHEMBL2353506 0.83 ALOX5 (0.52) TSHRPOLBALDH1A1
SCHEMBL2350906 0.81 SMN1; SMN2 (0.55) TSHRKMT2AALDH1A1NPC1RAB9A
SCHEMBL8085708 0.76 PTGS1 (0.58) PTGS1TSHRCCR5KMT2AALDH1A1
SCHEMBL8085742 0.75 PTGS1 (0.57) PTGS1TSHRCCR5ALDH1A1LTA4H
SCHEMBL28628955 0.75 SRC (0.48) PTGS1TSHRALDH1A1NPC1RAB9A
SCHEMBL21189479 0.75 ALDH1A1 (0.59) TSHRKMT2AALDH1A1HPGD
SCHEMBL11120021 0.74 TSHR (0.55) TSHRNPC1RAB9A
SCHEMBL5684832 0.73 PTGS1 (0.61) PTGS1TSHRCCR5KMT2ALTA4H
SCHEMBL357406 0.73 PTGS1 (0.64) PTGS1TSHRPOLBKMT2AALDH1A1

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 MTNR1A 3987/4885MTNR1B 3637/4885APP 1048/4885

“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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