SCHEMBL5778879

SCHEMBL5778879

F[C](F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.61
GAA P10253 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
P2RX1 P51575 2/20 0.40
HDAC3 O15379 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NOTUM Q6P988 1/20 0.38
IDO1 P14902 1/20 0.38
MAPT P10636 2/20 0.38
ITGB3 P05106 1/20 0.38
ITGAV P06756 1/20 0.38
CES1 P23141 1/20 0.37
TACR1 P25103 1/20 0.37

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
SCHEMBL29886876 0.80 CES2 (0.56) CES2GAARXRARXRBRXRG
SCHEMBL4089228 0.80 CES2 (0.64) CES2GAARXRARXRBRXRG
SCHEMBL4853565 0.79 CES2 (0.70) CES2GAARXRARXRBRXRG
SCHEMBL440959 0.78 CES2 (0.58) CES2RXRARXRBRXRGIDO1
SCHEMBL14471508 0.78 CES2 (0.61) CES2GAARXRARXRBRXRG
SCHEMBL186842 0.77 GABRA1 (0.52) CES2GAARXRARXRBRXRG
SCHEMBL23621098 0.76 CES2 (0.58) CES2GAARXRARXRBRXRG
SCHEMBL16180051 0.76 CES2 (0.73) CES2GAARXRARXRBRXRG
SCHEMBL15561973 0.76 CES2 (0.58) CES2GAARXRARXRBRXRG
SCHEMBL13984577 0.76 CES2 (0.58) CES2GAARXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006521344-A 2006-09-21 JP claimed
US-20060122224-A1 Quinoline and quinoxaline compounds BECHLE BRUCE M 2006-06-08 US claimed
WO-2006032987-A1 INDOLINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF ARTERIOSCLEROSIS PFIZER PRODUCTS INC. (US) 2006-03-30 WO claimed
EP-1622872-A1 1,2,4-SUBSTITUERTE 1,2,3,4-TETRAHYDRO-AND 1,2 DIHYDRO-QUINOLINE AND 1,2,3,4-TETRAHYDRO-QUINOXALINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND OBESITY Pfizer Products Inc. (US) 2006-02-08 EP claimed
US-20040204450-A1 Quinoline and quinoxaline compounds PFIZER INC 2004-10-14 US claimed
WO-2004085401-A1 1,2,4-SUBSTITUTED 1,2,3,4-TETRAHYDRO-AND 1,2 DIHYDRO-QUINOLINE AND 1,2,3,4-TETRAHYDRO-QUINOXALINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND OBESITY PFIZER PRODUCTS INC. (US) 2004-10-07 WO claimed
US-20060122224-A1 Quinoline and quinoxaline compounds BECHLE BRUCE M 2006-06-08 US disclosed
WO-2006032987-A1 INDOLINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF ARTERIOSCLEROSIS PFIZER PRODUCTS INC. (US) 2006-03-30 WO disclosed
EP-1622872-A1 1,2,4-SUBSTITUERTE 1,2,3,4-TETRAHYDRO-AND 1,2 DIHYDRO-QUINOLINE AND 1,2,3,4-TETRAHYDRO-QUINOXALINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND OBESITY Pfizer Products Inc. (US) 2006-02-08 EP disclosed
US-20040204450-A1 Quinoline and quinoxaline compounds PFIZER INC 2004-10-14 US disclosed
WO-2004085401-A1 1,2,4-SUBSTITUTED 1,2,3,4-TETRAHYDRO-AND 1,2 DIHYDRO-QUINOLINE AND 1,2,3,4-TETRAHYDRO-QUINOXALINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND OBESITY PFIZER PRODUCTS INC. (US) 2004-10-07 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-20060122224-A1 Quinoline and quinoxaline compounds LDLR, APOB, PON1 CES2 487/4885GAA 904/4885RXRA 299/4885
US-20040204450-A1 Quinoline and quinoxaline compounds LDLR, APOB, PON1 CES2 487/4885GAA 904/4885RXRA 299/4885

“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.