SCHEMBL4429919

SCHEMBL4429919

CCOC(=O)C(C)(C)Oc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.91
CYP1A2 P05177 3/20 0.91
CYP3A4 P08684 3/20 0.91
ABCB11 O95342 2/20 0.91
TSHR P16473 2/20 0.91
HTR2A P28223 2/20 0.91
PMP22 Q01453 2/20 0.91
OPRK1 P41145 1/20 0.59
ALDH1A1 P00352 3/20 0.58
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
MAPT P10636 2/20 0.57
CYP2C19 P33261 2/20 0.57
CYP2D6 P10635 1/20 0.57
FBP1 P09467 4/20 0.53
CNR1 P21554 2/20 0.52
PPARG P37231 2/20 0.51
LMNA P02545 2/20 0.51
HPGD P15428 2/20 0.51
USP2 O75604 1/20 0.51

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 SCHEMBL2356 0.95 PPARA (1.00) PPARACYP1A2CYP3A4ABCB11TSHR
Clofibrate SCHEMBL3953607 0.95 PPARA (1.00) PPARACYP1A2CYP3A4ABCB11TSHR
Clofibrate SCHEMBL5605019 0.94 PPARA (0.97) PPARACYP1A2CYP3A4ABCB11TSHR
Clofibrate SCHEMBL3345 0.94 PPARA (0.97) PPARACYP1A2CYP3A4ABCB11TSHR
Clofibrate SCHEMBL29262880 0.94 PPARA (0.97) PPARACYP1A2CYP3A4ABCB11TSHR
Clofibrate SCHEMBL11184809 0.94 PPARA (0.97) PPARACYP1A2CYP3A4ABCB11TSHR
Clofibrate SCHEMBL11187010 0.94 PPARA (0.97) PPARACYP1A2CYP3A4ABCB11TSHR
Clofibrate SCHEMBL11180679 0.94 PPARA (0.97) PPARACYP1A2CYP3A4ABCB11TSHR
Clofibrate SCHEMBL11175123 0.92 PPARA (0.94) PPARACYP1A2CYP3A4ABCB11TSHR
Clofibrate SCHEMBL28086141 0.92 PPARA (0.94) PPARACYP1A2CYP3A4ABCB11TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1877067-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONE GLUCURONIDE DERIVATIVES FOR HYPERCHOLESTEROLEMIA Microbia, Inc. (US) 2008-01-16 EP disclosed
EP-1877373-A2 BIPHENYLAZETIDINONE CHOLESTEROL ABSORPTION INHIBITORS Microbia, Inc. (US) 2008-01-16 EP disclosed
WO-2006124713-A2 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES MICROBIA, INC. (US) 2006-11-23 WO disclosed
WO-2006122186-A2 1,4-DIPHENYL-3-HYDROXYALKYL-2-AZETIDINONE DERIVATIVES FOR TREATING HYPERCHOLESTROLEMIA MICROBIA, INC. (US) 2006-11-16 WO disclosed
WO-2006121861-A2 BIPHENYLAZETIDINONE CHOLESTEROL ABSORPTION INHIBITORS MICROBIA, INC. (US) 2006-11-16 WO disclosed
WO-2006116499-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONE GLUCURONIDE DERIVATIVES FOR HYPERCHOLESTEROLEMIA MICROBIA, INC. (US) 2006-11-02 WO 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
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

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-20080194494-A1 4-Biarylyl-1-Phenylazetidin-2-One Glucuronide Derivatives for Hypercholesterolemia CYP46A1, CYP7A1, UGT1A1 PPARA 497/4885CYP1A2 23/4885CYP3A4 51/4885

“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.