SCHEMBL5098708

SCHEMBL5098708

COC(=O)Cc1ccc(OC)c(I)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.51
ALDH1A1 P00352 5/20 0.51
GFER P55789 1/20 0.51
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
HSP90AB1 P08238 1/20 0.47
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
TSHR P16473 2/20 0.45
NFKB1 P19838 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 4/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
HPGD P15428 2/20 0.44
EPHX2 P34913 1/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL2723833 0.85 GAA (0.68) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL198282 0.84 ALDH1A1 (0.62) GAAALDH1A1GFERABL1RIN1
SCHEMBL29626821 0.84 ALDH1A1 (0.62) GAAALDH1A1GFERABL1RIN1
SCHEMBL5742684 0.84 EPHX2 (0.49) GAAMAPTCYP1A2CYP3A4CYP2C19
SCHEMBL1446362 0.84 ALOX5 (0.50) KMT2AMEN1
SCHEMBL17124777 0.83 JAK2 (0.55) GAAALDH1A1GFERCYP4F2CYP4A11
SCHEMBL30094581 0.81 GAA (0.53) GAAALDH1A1GFERCYP4F2CYP4A11
SCHEMBL3759057 0.81 GAA (0.53) GAAALDH1A1GFERCYP4F2CYP4A11
SCHEMBL2094025 0.81 GAA (0.53) GAAALDH1A1GFERCYP4F2CYP4A11
SCHEMBL1011093 0.81 GAA (0.73) GAAALDH1A1GFERHSP90AB1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371294-B2 Cycloalkenyl aryl derivatives for CETP inhibitor CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2016-06-21 US disclosed
US-9371294-B2 Cycloalkenyl aryl derivatives for CETP inhibitor CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2016-06-21 US disclosed
CN-103269592-B Cyclic amine substituted oxazolidinone CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-11 CN disclosed
US-20150119376-A2 CYCLOALKENYL ARYL DERIVATIVES FOR CETP INHIBITOR CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2015-04-30 US disclosed
US-20150119376-A2 CYCLOALKENYL ARYL DERIVATIVES FOR CETP INHIBITOR CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2015-04-30 US disclosed
US-20140031335-A1 CYCLOALKENYL ARYL DERIVATIVES FOR CETP INHIBITOR CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2014-01-30 US disclosed
US-20140031335-A1 CYCLOALKENYL ARYL DERIVATIVES FOR CETP INHIBITOR CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2014-01-30 US disclosed
CN-103269592-A Cyclic amine substituted oxazolidinone cetp inhibitor MERCK SHARP & DOHME 2013-08-28 CN disclosed
EP-1971595-A2 CETP INHIBITORS Merck & Co., Inc. (US) 2008-09-24 EP disclosed
WO-2007081569-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-07-19 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 (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-20150119376-A2 CYCLOALKENYL ARYL DERIVATIVES FOR CETP INHIBITOR CETP, MTTP, LCAT GAA 1008/4885ALDH1A1 2691/4885GFER 3403/4885
US-20140031335-A1 CYCLOALKENYL ARYL DERIVATIVES FOR CETP INHIBITOR CETP, MTTP, LCAT GAA 1008/4885ALDH1A1 2691/4885GFER 3403/4885

“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.