SCHEMBL2013469

SCHEMBL2013469

O=CCCOCC(F)(F)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
DAO P14920 1/20 0.33
PTPN1 P18031 1/20 0.32
TACR1 P25103 1/20 0.32
FFAR4 Q5NUL3 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
HTR2B P41595 1/20 0.32
AOX1 Q06278 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
KIF11 P52732 1/20 0.31

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
SCHEMBL14850524 0.87 ADRB2 (0.42) ADRB2ADRB1FFAR4HDAC1HDAC2
SCHEMBL2012349 0.86 ADRB2 (0.35) ADRB2ADRB1DAOHTR2AHTR2C
SCHEMBL5028917 0.79 TSHR (0.48) ALDH1A1TSHRDAOPTPN1TACR1
SCHEMBL824894 0.76 ALDH1A1 (0.41) ALDH1A1TSHRDAOPTPN1CA1
SCHEMBL14850528 0.75 ADRB2 (0.40) ADRB2ADRB1ALDH1A1TSHRTACR1
SCHEMBL2008810 0.74 ADRB2 (0.39) ADRB2ADRB1ALDH1A1TSHRPTPN1
SCHEMBL10232106 0.74 LTA4H (0.42) ADRB2ADRB1ALDH1A1TSHRTACR1
SCHEMBL2011284 0.73 ALDH1A1 (0.38) ADRB2ADRB1ALDH1A1TSHRFFAR4
SCHEMBL2010994 0.73 ALDH1A1 (0.31) ALDH1A1TSHRHTR2AHTR2CSLC6A4
SCHEMBL27565434 0.73 ALDH1A1 (0.46) ALDH1A1TSHRDAOPTPN1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420669-B2 Derivatives of 4-(2-amino-1-hydroxyethyl)phenol as agonists of the BETA2 adrenergic receptor LABORATORIES ALMIRALL, S.A. (ES) 2013-04-16 US disclosed
US-8242177-B2 Derivatives of 4-(2-amino-1-hydroxyethyl)phenol as agonists of the β2 adrenergic receptor ALMIRALL, S.A. (ES) 2012-08-14 US disclosed
US-20120115826-A2 Derivatives of 4-(2-Amino-1-Hydroxyethyl) Phenol as Agonists of the Beta2 AdrenergicReceptor LABORATORIOS ALMIRALL, S.A. (ES) 2012-05-10 US disclosed
US-20120101075-A2 Derivatives of 4-(2-Amino-1-Hydroxyethyl) Phenol as Agonists of the Beta2 Adrenergic Receptor LABORATORIOS ALMIRALL, S.A. (ES) 2012-04-26 US disclosed
EP-1885684-B9 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA-2 ADRENERGIC RECEPTOR ALMIRALL SA (ES) 2012-04-25 EP disclosed
US-20110251166-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR PUIG DURAN CARLOS 2011-10-13 US disclosed
US-20110251165-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ALMIRALL, S.A. 2011-10-13 US disclosed
EP-1885684-B1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA-2 ADRENERGIC RECEPTOR ALMIRALL SA (ES) 2011-07-13 EP disclosed
US-7964615-B2 Derivatives of 4-(2-amino-1-hydroxyethyl)phenol as agonists of the β2 adrenergic receptor ALMIRALL, S.A. (ES) 2011-06-21 US disclosed
EP-2263998-A1 Derivatives of 4-(2-amino-1-hydroxyethyl) phenol as agonists of the beta2 adrenergic receptor Almirall S.A. (ES) 2010-12-22 EP disclosed
US-20090042933-A1 Derivatives of 4-(2-amino -1-hydroxyethyl)phenol as agonists of the Beta2 adrenergic receptor ALMIRALL, S.A. (ES) 2009-02-12 US disclosed
EP-1885684-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA-2 ADRENERGIC RECEPTOR Laboratorios Almirall, S.A. (ES) 2008-02-13 EP disclosed
WO-2006122788-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE β2 ADRENERGIC RECEPTOR LABORATORIOS ALMIRALL, S.A. (ES) 2006-11-23 WO 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 (5 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-20110251166-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ADRB2, ADRA2C, ADRB1 ADRB2 1/4885ADRB1 3/4885ALDH1A1 2569/4885
US-20110251165-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ADRB2, ADRA2C, ADRB3 ADRB2 1/4885ADRB1 4/4885ALDH1A1 2486/4885
US-20090042933-A1 Derivatives of 4-(2-amino -1-hydroxyethyl)phenol as agonists of the Beta2 adrenergic receptor ADRB2, ADRA2C, ADRB1 ADRB2 1/4885ADRB1 3/4885ALDH1A1 2732/4885
US-20120115826-A2 Derivatives of 4-(2-Amino-1-Hydroxyethyl) Phenol as Agonists of the Beta2 AdrenergicReceptor ADRB2, ADRB1, ADRA2C ADRB2 1/4885ADRB1 2/4885ALDH1A1 378/4885
US-20120101075-A2 Derivatives of 4-(2-Amino-1-Hydroxyethyl) Phenol as Agonists of the Beta2 Adrenergic Receptor ADRB2, ADRB1, ADRA2C ADRB2 1/4885ADRB1 2/4885ALDH1A1 403/4885

“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.