SCHEMBL3858898

SCHEMBL3858898

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.61
ALDH1A1 P00352 4/20 0.61
GFER P55789 1/20 0.61
HSP90AB1 P08238 1/20 0.53
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
TSHR P16473 3/20 0.46
HPGD P15428 3/20 0.46
MAPT P10636 2/20 0.46
YWHAG P61981 1/20 0.45
SLC7A5 Q01650 1/20 0.43
NFKB1 P19838 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
PDK2 Q15119 1/20 0.42
RGS12 O14924 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL4108699 0.86 GAA (0.66) GAAALDH1A1GFERHSP90AB1CYP4F2
SCHEMBL29446278 0.84 GAA (0.72) GAAALDH1A1GFERHSP90AB1CYP4F2
SCHEMBL3668882 0.84 GAA (0.72) GAAALDH1A1GFERHSP90AB1CYP4F2
SCHEMBL17689712 0.83 YWHAG (0.50) GAAALDH1A1GFERCYP4F2CYP4A11
SCHEMBL13211726 0.83 ALDH1A1 (0.53) GAAALDH1A1GFERHSP90AB1CYP4F2
Methyl Alcohol SCHEMBL27946196 0.82 GAA (0.70) GAAALDH1A1GFERHSP90AB1CYP4F2
Potassium Ion SCHEMBL7994403 0.81 GAA (0.59) GAAALDH1A1GFERHSP90AB1CYP4F2
SCHEMBL334348 0.81 GAA (0.63) GAAALDH1A1GFERHSP90AB1CYP4F2
SCHEMBL8146212 0.81 GAA (0.63) GAAALDH1A1GFERHSP90AB1CYP4F2
SCHEMBL2981679 0.79 GAA (0.61) GAAALDH1A1GFERHSP90AB1CYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490047-B1 CERTAIN PHARMACEUTICALLY USEFUL SUBSTITUTED AMINOALKYL HETEROCYCLES SMITHKLINE BEECHAM CORP (US) 2009-12-30 EP disclosed
EP-1511483-A4 METHODS OF TREATMENT WITH LXR MODULATORS SMITHKLINE BEECHAM CORP (US) 2009-03-18 EP disclosed
US-7323494-B2 Compounds and methods SMITHKLINE BEECHAM CORPORATION (US) 2008-01-29 US disclosed
US-7323494-B2 Compounds and methods SMITHKLINE BEECHAM CORPORATION (US) 2008-01-29 US disclosed
US-7323494-B2 Compounds and methods SMITHKLINE BEECHAM CORPORATION (US) 2008-01-29 US disclosed
EP-1490047-A4 CERTAIN PHARMACEUTICALLY USEFUL SUBSTITUTED AMINOALKYL HETEROCYCLES SMITHKLINE BEECHAM CORP (US) 2006-01-04 EP disclosed
US-20050171084-A1 Methods of treatment with lxr modulators SMITHKLINE BEECHAM CORPORATION 2005-08-04 US disclosed
US-20050165045-A1 Compounds and methods GLAXOSMITHKLINE LLC 2005-07-28 US disclosed
EP-1511483-A2 METHODS OF TREATMENT WITH LXR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-03-09 EP disclosed
EP-1490047-A2 CERTAIN PHARMACEUTICALLY USEFUL SUBSTITUTED AMINOALKYL HETEROCYCLES SmithKline Beecham Corporation (US) 2004-12-29 EP disclosed
WO-2003082192-A2 CERTAIN PHARMACEUTICALLY USEFUL SUBSTITUTED AMINOALKYL HETEROCYCLES SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 WO disclosed
WO-2003082198-A2 METHODS OF TREATMENT WITH LXR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 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-20050165045-A1 Compounds and methods NR1H3, NR1H2, PPARA GAA 1162/4885ALDH1A1 1291/4885GFER 1965/4885
US-20050171084-A1 Methods of treatment with lxr modulators NR1H2, NR1H3, NR1H4 GAA 2709/4885ALDH1A1 3430/4885GFER 4153/4885

“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.