SCHEMBL6740992

SCHEMBL6740992

CCOC(=O)C(C)(C)Oc1ccc(CCBr)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 11/20 0.55
PPARA Q07869 4/20 0.49
TSHR P16473 2/20 0.49
ABCB11 O95342 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
HTR2A P28223 1/20 0.49
PMP22 Q01453 1/20 0.49
PPARG P37231 2/20 0.46
OPRK1 P41145 1/20 0.43
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
ADRB3 P13945 2/20 0.37
PPARD Q03181 1/20 0.36

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
SCHEMBL4682002 0.90 FBP1 (0.57) FBP1PPARATSHRABCB11CYP1A2
SCHEMBL6743475 0.87 FBP1 (0.53) FBP1PPARATSHRABCB11CYP1A2
SCHEMBL4678053 0.86 FBP1 (0.58) FBP1PPARATSHRABCB11CYP1A2
SCHEMBL4677347 0.82 FBP1 (0.55) FBP1PPARATSHRABCB11CYP1A2
SCHEMBL16585371 0.82 FBP1 (0.59) FBP1PPARATSHRABCB11CYP1A2
SCHEMBL581322 0.81 TSHR (0.64) FBP1PPARATSHRABCB11CYP1A2
SCHEMBL3585865 0.80 FBP1 (0.60) FBP1PPARATSHRABCB11CYP1A2
SCHEMBL6740635 0.80 FBP1 (0.55) FBP1PPARATSHRABCB11CYP1A2
SCHEMBL7980993 0.79 FBP1 (0.60) FBP1PPARATSHRABCB11CYP1A2
SCHEMBL4735992 0.79 FBP1 (0.51) FBP1PPARATSHRABCB11CYP1A2

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 FBP1 2185/4885PPARA 323/4885TSHR 1083/4885

“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.