SCHEMBL1044044

SCHEMBL1044044

CC(C)(Oc1ccccc1OC(F)(F)F)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
KDM4E B2RXH2 1/20 0.60
HSD17B10 Q99714 1/20 0.60
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
PPARG P37231 8/20 0.46
PPARA Q07869 7/20 0.46
PPARD Q03181 5/20 0.46
CYP2C19 P33261 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
MGLL Q99685 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 1/20 0.42
HSD11B1 P28845 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
SCHEMBL1044701 0.84 KDM4E (0.58) ALDH1A1KDM4EHSD17B10RXRARXRB
SCHEMBL6989689 0.83 HSD17B10 (0.62) ALDH1A1KDM4EHSD17B10RXRAPPARG
SCHEMBL3369745 0.81 KDM4E (0.60) ALDH1A1KDM4EHSD17B10PPARGPPARA
SCHEMBL1045767 0.79 KDM4E (0.62) ALDH1A1KDM4EHSD17B10RXRARXRB
SCHEMBL28821563 0.79 ALDH1A1 (0.62) ALDH1A1KDM4EHSD17B10RXRARXRB
SCHEMBL21939443 0.79 L3MBTL1 (0.59) ALDH1A1KDM4EHSD17B10PPARGPPARA
SCHEMBL4037904 0.78 KDM4E (0.60) ALDH1A1KDM4EHSD17B10PPARGPPARA
SCHEMBL1046455 0.78 ALDH1A1 (0.60) ALDH1A1KDM4EHSD17B10RXRARXRB
SCHEMBL2517197 0.78 ALDH1A1 (0.60) ALDH1A1KDM4EHSD17B10PPARGPPARA
SCHEMBL17420774 0.77 RXRA (0.47) ALDH1A1KDM4EHSD17B10RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2269977-B1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme ABBVIE INC (US) 2016-04-27 EP disclosed
US-9290444-B2 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase type 1 enzyme ABBVIE INC. (US) 2016-03-22 US disclosed
US-20150065508-A1 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBVIE INC. (US) 2015-03-05 US disclosed
US-8716345-B2 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase type 1 enzyme ABBVIE INC. (US) 2014-05-06 US disclosed
US-20130045978-A1 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBVIE INC. 2013-02-21 US disclosed
US-8314270-B2 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase type 1 enzyme ABBOTT LABORATORIES (US) 2012-11-20 US disclosed
US-20110218214-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme ABBOTT LABORATORIES (US) 2011-09-08 US disclosed
EP-2269977-A2 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme Abbott Laboratories (US) 2011-01-05 EP disclosed
US-7855308-B2 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme ABBOTT LABORATORIES (US) 2010-12-21 US disclosed
US-20090192198-A1 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2009-07-30 US disclosed
US-20090131434-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme ABBOTT LABORATORIES (US) 2009-05-21 US disclosed
US-7511175-B2 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase type 1 enzyme ABBOTT LABORATORIES (US) 2009-03-31 US disclosed
EP-1937641-A2 DIHYDRO-[1H]-QUINOLIN-2-ONE DERIVATIVES AS RXR AGONISTS FOR THE TREATMENT OF DYSLIPIDEMIA, HYPERCHOLESTEROLEMIA AND DIABETES Janssen Pharmaceutica, N.V. (BE) 2008-07-02 EP disclosed
EP-1846363-A2 ADAMANTYL DERIVATIVES AS INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2007-10-24 EP disclosed
WO-2007041112-A2 DIHYDRO-[1H]-QUINOLIN-2-ONE DERIVATIVES AS RXR AGONISTS FOR THE TREATMENT OF DYSLIPIDEMIA, HYPERCHOLESTEROLEMIA AND DIABETES JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-12 WO disclosed
US-20060281773-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase type 1 enzyme ABBVIE INC. 2006-12-14 US disclosed
WO-2006074244-A2 ADAMANTYL DERIVATIVES AS INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2006-07-13 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 (6 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-20090131434-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme HSD11B1, HSD17B1, HSD11B2 ALDH1A1 156/4885KDM4E 3375/4885HSD17B10 11/4885
US-20110218214-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme HSD11B1, HSD17B1, HSD11B2 ALDH1A1 156/4885KDM4E 3375/4885HSD17B10 11/4885
US-20060281773-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase type 1 enzyme HSD11B1, HSD17B1, HSD11B2 ALDH1A1 156/4885KDM4E 3375/4885HSD17B10 11/4885
US-20150065508-A1 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME HSD11B1, HSD11B2, HSD17B1 ALDH1A1 177/4885KDM4E 3410/4885HSD17B10 11/4885
US-20090192198-A1 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME HSD11B1, HSD11B2, HSD17B1 ALDH1A1 177/4885KDM4E 3410/4885HSD17B10 11/4885
US-20130045978-A1 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME HSD11B1, HSD11B2, HSD17B1 ALDH1A1 177/4885KDM4E 3410/4885HSD17B10 11/4885

“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.