SCHEMBL659739

SCHEMBL659739

Cc1cccc(OC(C)(C)C(=O)O)c1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
KDM4E B2RXH2 2/20 0.58
HSD17B10 Q99714 1/20 0.58
POLB P06746 4/20 0.44
PPARA Q07869 8/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
PPARG P37231 6/20 0.41
PPARD Q03181 4/20 0.41
TRPA1 O75762 1/20 0.41
ATM Q13315 1/20 0.41
CYP2C9 P11712 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
Methoxyacetic Acid SCHEMBL7624068 0.88 ALDH1A1 (0.48) ALDH1A1KDM4EHSD17B10POLBPPARA
SCHEMBL1045767 0.85 KDM4E (0.62) ALDH1A1KDM4EHSD17B10POLBPPARA
SCHEMBL11939834 0.83 ALDH1A1 (0.55) ALDH1A1KDM4EHSD17B10POLBPPARA
SCHEMBL11946921 0.83 KDM4E (0.55) ALDH1A1KDM4EHSD17B10POLBPPARA
SCHEMBL3608367 0.80 FBP1 (0.52) ALDH1A1POLBPPARAMAPTCYP1A2
SCHEMBL23871139 0.79 PPARA (0.55) ALDH1A1KDM4EHSD17B10PPARAMAPT
SCHEMBL3590160 0.79 POLB (0.42) ALDH1A1KDM4EHSD17B10POLBMAPT
SCHEMBL31606753 0.77 TRPA1 (0.46) ALDH1A1KDM4EPOLBMAPTMEN1
SCHEMBL147382 0.77 MAPT (0.47) ALDH1A1KDM4EPOLBMAPTMEN1
SCHEMBL11811333 0.76 POLB (0.45) ALDH1A1POLBPPARAMAPTMEN1

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103965147-B Benzofuran derivatives 武田药品工业株式会社 2016-08-24 CN disclosed
CN-103242192-B The inhibitor of 11-beta-hydroxysteroid dehydrogenase 1 type enzyme ABBVIE INC. (US) 2016-05-04 CN disclosed
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-8957069-B2 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-17 US disclosed
EP-2781513-A1 Benzofuran derivatives Takeda Pharmaceutical Company Limited (JP) 2014-09-24 EP disclosed
CN-103965147-A Benzofuran derivatives TAKEDA PHARMACEUTICAL 2014-08-06 CN disclosed
CN-102421767-B Benzofuran derivatives TAKEDA PHARMACEUTICAL 2014-06-18 CN disclosed
EP-2406243-B1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2014-05-07 EP disclosed
US-20090023800-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-01-22 US disclosed
US-7465815-B2 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-16 US disclosed
US-20080021087-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-01-24 US 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
US-20070099990-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 US 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
WO-2006058199-A1 METHODS OF MODULATING HIGH-DENSITY LIPOPROTEIN CHOLESTEROL LEVELS AND PHARMACEUTICAL FORMULATIONS FOR THE SAME FAZIX CORPORATION (US) 2006-06-01 WO disclosed
US-20060111346-A1 Methods of modulating high-density lipoprotein cholesterol levels and pharmaceutical formulations for the same FAZIX CORPORATION. 2006-05-25 US disclosed
EP-1637527-A1 CANNABINOID RECEPTOR MODULATOR Takeda Pharmaceutical Company Limited (JP) 2006-03-22 EP 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-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-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 ALDH1A1 1463/4885KDM4E 737/4885HSD17B10 727/4885
US-20060111346-A1 Methods of modulating high-density lipoprotein cholesterol levels and pharmaceutical formulations for the same HDLBP, LDLR, CETP ALDH1A1 3198/4885KDM4E 2223/4885HSD17B10 457/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 ALDH1A1 1463/4885KDM4E 737/4885HSD17B10 727/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 ALDH1A1 1463/4885KDM4E 737/4885HSD17B10 727/4885

“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.