SCHEMBL6741995

SCHEMBL6741995

CCOC(=O)C(C)(C)Oc1ccc(CCOCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.54
ABCB11 O95342 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
TSHR P16473 1/20 0.54
HTR2A P28223 1/20 0.54
PMP22 Q01453 1/20 0.54
PPARG P37231 11/20 0.50
PPARD Q03181 2/20 0.47
FBP1 P09467 1/20 0.46

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
SCHEMBL4428685 0.83 PPARG (0.61) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3288292 0.82 PPARA (0.57) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL14584455 0.82 PPARG (0.61) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL6080934 0.81 ALDH1A1 (0.57) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL8769001 0.81 GLA (0.54) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL8768101 0.81 PPARA (0.54) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL2824491 0.80 PPARA (0.71) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL16933492 0.80 RORC (0.43)
SCHEMBL10305308 0.79 MAPT (0.51) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3341525 0.79 PPARA (0.68) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1072583-A1 2-METHYLPROPIONIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2001-01-31 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 (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-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.