SCHEMBL2008935

SCHEMBL2008935

CCOC(=O)CCC(F)(F)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.55
POLB P06746 3/20 0.54
CYP4F2 P78329 3/20 0.47
CYP4A11 Q02928 3/20 0.47
ALOX5 P09917 1/20 0.46
PPID Q08752 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TOP2A P11388 2/20 0.43
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
S1PR4 O95977 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
S1PR1 P21453 1/20 0.43
STAT3 P40763 1/20 0.43
STAT1 P42224 1/20 0.43

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
SCHEMBL28633333 0.85 SMN1; SMN2 (0.56) SMN1; SMN2POLBCYP4F2CYP4A11ALOX5
SCHEMBL19511174 0.84 MAPT (0.46) SMN1; SMN2POLBCYP4F2CYP4A11KMT2A
SCHEMBL9716850 0.83 SMN1; SMN2 (0.58) SMN1; SMN2POLBCYP4F2CYP4A11ALOX5
SCHEMBL824939 0.83 KCNN4 (0.47) SMN1; SMN2POLBKMT2AMEN1ALDH1A1
SCHEMBL29182087 0.83 SMN1; SMN2 (0.51) SMN1; SMN2POLBCYP4F2CYP4A11ALOX5
SCHEMBL8485631 0.82 SMN1; SMN2 (0.54) SMN1; SMN2POLBCYP4F2CYP4A11ALOX5
SCHEMBL24451338 0.81 SMN1; SMN2 (0.56) SMN1; SMN2POLBCYP4F2CYP4A11ALOX5
SCHEMBL8485171 0.81 SMN1; SMN2 (0.52) SMN1; SMN2POLBCYP4F2CYP4A11ALOX5
SCHEMBL5062051 0.81 SMN1; SMN2 (0.52) SMN1; SMN2POLBCYP4F2CYP4A11ALOX5
SCHEMBL11845684 0.78 SMN1; SMN2 (0.50) SMN1; SMN2POLBCYP4F2CYP4A11ALOX5

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-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
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
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 SMN1; SMN2 3776/4885POLB 3210/4885CYP4F2 731/4885
US-20110251165-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ADRB2, ADRA2C, ADRB3 SMN1; SMN2 3832/4885POLB 3002/4885CYP4F2 744/4885
US-20090042933-A1 Derivatives of 4-(2-amino -1-hydroxyethyl)phenol as agonists of the Beta2 adrenergic receptor ADRB2, ADRA2C, ADRB1 SMN1; SMN2 3113/4885POLB 2705/4885CYP4F2 546/4885
US-20120115826-A2 Derivatives of 4-(2-Amino-1-Hydroxyethyl) Phenol as Agonists of the Beta2 AdrenergicReceptor ADRB2, ADRB1, ADRA2C SMN1; SMN2 3260/4885POLB 1886/4885CYP4F2 275/4885
US-20120101075-A2 Derivatives of 4-(2-Amino-1-Hydroxyethyl) Phenol as Agonists of the Beta2 Adrenergic Receptor ADRB2, ADRB1, ADRA2C SMN1; SMN2 3622/4885POLB 1400/4885CYP4F2 249/4885

“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.