SCHEMBL5873485

SCHEMBL5873485

CC(C)(C)OC(=O)CCc1ccc(C(F)(F)F)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.43
PPARD Q03181 1/20 0.42
PLAAT3 P53816 1/20 0.39
PLAAT5 Q96KN8 1/20 0.39
PLAAT2 Q9NWW9 1/20 0.39
PLAAT4 Q9UL19 1/20 0.39
TKT P29401 1/20 0.39
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
KCNQ4 P56696 1/20 0.39
KCNQ5 Q9NR82 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP3A5 P20815 1/20 0.37
P4HTM Q9NXG6 1/20 0.37
TRPV4 Q9HBA0 1/20 0.37
SCN9A Q15858 1/20 0.36
KCNH2 Q12809 1/20 0.36
SYK P43405 1/20 0.36
CYP2C8 P10632 1/20 0.36

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
SCHEMBL17634090 0.86 PPARD (0.43) DAOPPARDPLAAT3PLAAT5PLAAT2
SCHEMBL2949235 0.86 DAO (0.45) DAOPPARDPLAAT3PLAAT5PLAAT2
SCHEMBL25245034 0.83 CYP4F2 (0.54) DAOPPARDTKTKCNQ3KCNQ2
SCHEMBL31067871 0.83 CYP4F2 (0.54) DAOPPARDTKTKCNQ3KCNQ2
SCHEMBL29702166 0.81 STING1 (0.34) PPARD
SCHEMBL15087614 0.81 DAO (0.48) DAOPPARDPLAAT3PLAAT5PLAAT2
SCHEMBL4130730 0.80 F2 (0.52) P4HTM
SCHEMBL29854659 0.79 P4HTM (0.58) DAOPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL2948639 0.79 P4HTM (0.58) DAOPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL29707553 0.79 GPR183 (0.42) P4HTM

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-7084156-B2 2-Aminoquinoline compounds MERCK & CO., INC. (US) 2006-08-01 US disclosed
US-20050026915-A1 2-Aminoquinoline compounds MERCK SHARP & DOHME CORP. 2005-02-03 US disclosed
EP-1450801-A2 2-AMINOQUINOLINE COMPOUNDS Merck & Co., Inc. (US) 2004-09-01 EP disclosed
WO-2003045313-A2 2-AMINOQUINOLINE COMPOUNDS MERCK & CO. INC. (US) 2003-06-05 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-20050026915-A1 2-Aminoquinoline compounds MCHR1, MCHR2, MC5R DAO 874/4885PPARD 3993/4885PLAAT3 4758/4885

“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.