SCHEMBL4422408

SCHEMBL4422408

CCOC(=O)C(C)(C)Oc1cccc(Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 5/20 0.68
▸ ABCB11 O95342 1/20 0.68
▸ CYP1A2 P05177 1/20 0.68
▸ CYP3A4 P08684 1/20 0.68
▸ TSHR P16473 1/20 0.68
▸ HTR2A P28223 1/20 0.68
▸ PMP22 Q01453 1/20 0.68
▸ PPARG P37231 2/20 0.61
▸ FBP1 P09467 8/20 0.57
▸ CNR1 P21554 3/20 0.48
▸ POLB P06746 1/20 0.46
▸ OPRK1 P41145 1/20 0.45
▸ CNR2 P34972 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ GRM2 Q14416 1/20 0.44

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
Clofibrate SCHEMBL6900545 0.86 PPARA (0.65) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL197882 0.85 PPARA (0.64) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL20730087 0.85 PPARA (0.64) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL12670824 0.84 PPARA (0.62) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL7988059 0.82 PPARA (0.61) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL655568 0.82 PPARA (0.61) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL31357666 0.82 PPARA (0.61) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL421202 0.82 PPARA (0.61) PPARAABCB11CYP1A2CYP3A4TSHR
Clofibrate SCHEMBL28086141 0.82 PPARA (0.94) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL5892173 0.82 PPARA (0.60) PPARAABCB11CYP1A2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 — — US disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 — — US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 — — US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 — — US disclosed
WO-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 — — WO disclosed
US-20080194494-A1 4-Biarylyl-1-Phenylazetidin-2-One Glucuronide Derivatives for Hypercholesterolemia MICROBIA, INC. (US) 2008-08-14 — — US disclosed
WO-2008039829-A2 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-04-03 — — WO disclosed
EP-1885694-A2 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES Microbia, Inc. (US) 2008-02-13 — — EP disclosed
EP-1879860-A2 1,4-DIPHENYL-3-HYDROXYALKYL-2-AZETIDINONE DERIVATIVES FOR TREATING HYPERCHOLESTROLEMIA Microbia Inc. (US) 2008-01-23 — — EP disclosed
EP-1877373-A2 BIPHENYLAZETIDINONE CHOLESTEROL ABSORPTION INHIBITORS Microbia, Inc. (US) 2008-01-16 — — EP disclosed
US-6790865-B2 2-HYDROXY-2-(4-HYDROXYPHENYL)-1-METHYLETHYL)AMINO)ETHYL)PHENOXY OR IMINO)-2-METHYLPROPIONIC ACID DERIVATIVE EXCELLENT BETA 3-ADRENOCEPTOR STIMULANTS KISSEI PHARMACEUTICAL CO., LTD. (JP) 2004-09-14 — — US disclosed
EP-1072583-B1 2-METHYLPROPIONIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME KISSEI PHARMACEUTICAL (JP) 2004-09-01 — — EP disclosed
US-6696489-B1 PHENOLIC AND PHENYLAMINO SUBSTITUENTS; BETA 3-ADRENOCEPTOR AGONISTS; OBESITY, HYPERGLYCEMIA, INTESTINAL HYPERMOTILITY, POLLAKIURIA, URINARY INCONTINENCE, DEPRESSION KISSEI PHARMACEUTICAL CO., LTD. (JP) 2004-02-24 — — US disclosed
US-20030166719-A1 2-hydroxy-2-(4-hydroxyphenyl)-1-methylethyl)amino)ethyl)phenoxy or imino)-2-methylpropionic acid derivative excellent beta 3-adrenoceptor stimulants KISSEI PHARMACEUTICAL CO., LTD. 2003-09-04 — — US disclosed
US-RE37770-E1 SUCH AS LINOLEIC ACID, OLEIC ACID, 5,8,11,14-EICOSATETRAYNOIC ACID, 4-CHLORO-6-(2,3-XYLIDINO)-2-PYRIMIDINYL)THIOACETIC ACID, CLOFIBRATE, AND GEMFIBROZIL; USEFUL FOR TREATING DISORDERS OF EPIDERMAL DIFFERENTIATION AND PROLIFERATION. THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-06-25 — — US disclosed
US-6187814-B1 BY TOPICALLY AN FARNESOID X-ACTIVATED RECEPTOR (FXR) ACTIVATOR SELECTED FROM FARNESAL, ALKYL FARNESYL ETHER, ALKYL FARNESOATE, AND 7-METHYL-9-(3,3-DIMETHYLOXIRANYL)-3-METHYL-2,6-NONADIENOIC ACID, ALKYL ESTER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-02-13 — — US disclosed
US-6184215-B1 TOPICALLY APPLYING TO SKIN A HYDROXYCHOLESTEROL TO ACTIVATE LIVER-BASED X-ACTIVATED RECEPTOR ALPHA (LXRA) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-02-06 — — US disclosed
EP-1072583-A1 2-METHYLPROPIONIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2001-01-31 — — EP disclosed
US-6060515-A TOPICALLY APPLYING TO MAMMALIAN SKIN OR MUCOUS MEMBRANE A BARRIER DEVELOPMENT ENHANCING AMOUNT OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA (PPARA) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-05-09 — — US disclosed
CN-1248916-A Use of FXR, PPAR 'alpha' and LXR 'alpha' activators to restore barrier function, promote epidermal differentiation and inhibit proliferation UNIV CALIFORNIA (US) 2000-03-29 — — CN 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 (3 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-20080194494-A1 4-Biarylyl-1-Phenylazetidin-2-One Glucuronide Derivatives for Hypercholesterolemia CYP46A1, CYP7A1, UGT1A1 PPARA 497/4885ABCB11 21/4885CYP1A2 23/4885
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF HSD11B1, HSD11B2, HSD3B1 PPARA 455/4885ABCB11 1505/4885CYP1A2 320/4885
US-20030166719-A1 2-hydroxy-2-(4-hydroxyphenyl)-1-methylethyl)amino)ethyl)phenoxy or imino)-2-methylpropionic acid derivative excellent beta 3-adrenoceptor stimulants ADRB1, ADRB2, ADRA2A PPARA 323/4885ABCB11 512/4885CYP1A2 554/4885

“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.

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