SCHEMBL12434744

SCHEMBL12434744

Cc1cccc(-c2ccccc2C2CN(C)C(=O)O2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
HSD11B1 P28845 2/20 0.40
CHRM3 P20309 4/20 0.38
DRD1 P21728 1/20 0.38
HTR2A P28223 1/20 0.38
ALOX5 P09917 1/20 0.37
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NR3C2 P08235 1/20 0.35
GRM2 Q14416 1/20 0.35

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
SCHEMBL15743999 0.76 ALOX5 (0.49) HSD11B1DRD1ALOX5MAOBMAOA
SCHEMBL13394484 0.76 ALOX5 (0.38) BRD4HTR2AALOX5GRM2
SCHEMBL12434745 0.75 ALDH1A1 (0.41) MAOBNPC1ALDH1A1MAPTNFKB1
SCHEMBL15928322 0.72 HTR6 (0.52) ALOX5ALDH1A1GRM2
SCHEMBL15743997 0.71 HTR2C (0.41) HTR2AALOX5MAPT
SCHEMBL2272834 0.69 CHRM3 (0.50) BRD4CHRM3DRD1HTR2A
SCHEMBL7364885 0.68 FADS1 (0.50) BRD4HSD11B1ALOX5MAOB
SCHEMBL7364886 0.68 FADS1 (0.50) BRD4HSD11B1ALOX5MAOB
SCHEMBL24311882 0.67 ADRA2A (0.41)
SCHEMBL28414965 0.66 ACHE (0.55) MAOBNPC1ALDH1A1MAPTNFKB1

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-8440702-B2 1,3-oxazolidin -2-one derivatives useful as CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2013-05-14 US disclosed
US-20110178059-A1 1,3-OXAZOLIDIN -2-ONE DERIVATIVES USEFUL AS CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-21 US disclosed
US-7915271-B2 1,3-oxazolidin-2-one derivatives useful as CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2011-03-29 US disclosed
US-20090137548-A1 1,3-Oxazolidin-2-One Derivatives Useful as Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-05-28 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 (2 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-20110178059-A1 1,3-OXAZOLIDIN -2-ONE DERIVATIVES USEFUL AS CETP INHIBITORS CETP, MTTP, APOB BRD4 637/4885HSD11B1 379/4885CHRM3 4573/4885
US-20090137548-A1 1,3-Oxazolidin-2-One Derivatives Useful as Cetp Inhibitors CETP, MTTP, APOB BRD4 637/4885HSD11B1 379/4885CHRM3 4573/4885

“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.