SCHEMBL4423002

SCHEMBL4423002

CCOC(=O)C(C)(C)Oc1ccccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.59
ABCB11 O95342 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
TSHR P16473 1/20 0.59
HTR2A P28223 1/20 0.59
PMP22 Q01453 1/20 0.59
FBP1 P09467 10/20 0.55
PPARG P37231 2/20 0.44
PIN1 Q13526 1/20 0.43
CNR1 P21554 1/20 0.43
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PPARD Q03181 1/20 0.41
MMP8 P22894 1/20 0.41
OPRK1 P41145 1/20 0.41

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
SCHEMBL12804549 0.88 PPARA (0.56) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL4111678 0.84 FBP1 (0.58) PPARAABCB11CYP1A2CYP3A4TSHR
Clofibrate SCHEMBL6900545 0.83 PPARA (0.65) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL12670823 0.83 FBP1 (0.56) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL7980993 0.82 FBP1 (0.60) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL7988932 0.82 TSHR (0.54) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL9034965 0.82 FBP1 (0.61) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL581322 0.82 TSHR (0.64) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL14092161 0.81 FBP1 (0.55) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3485006 0.81 FBP1 (0.55) 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 15 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
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 (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 497/4885ABCB11 21/4885CYP1A2 23/4885

“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.