SCHEMBL2008546

SCHEMBL2008546

OCC(F)(F)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TSHR P16473 1/20 0.46
CES1 P23141 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
SLC6A2 P23975 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
FDPS P14324 1/20 0.42
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
TRPA1 O75762 1/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
CALM1 P0DP23 1/20 0.38
PTPN1 P18031 2/20 0.37
KCNA5 P22460 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
SCHEMBL19224281 0.85 SLC6A2 (0.50) CYP1A2CYP2C9CYP2C19TSHRCES1
SCHEMBL29633636 0.82 TDP1 (0.44) CYP1A2CYP2C9CYP2C19TSHRCES1
SCHEMBL3438750 0.78 SLC6A2 (0.50) CYP1A2CYP2C9CYP2C19CES1SMN1; SMN2
SCHEMBL10633769 0.78 SLC6A2 (0.44) CYP1A2CYP2C9CYP2C19TSHRCES1
SCHEMBL2010872 0.77 TDP1 (0.50) TSHRCES1SMN1; SMN2TAAR1TDP1
SCHEMBL21243975 0.77 SMN1; SMN2 (0.50) CYP1A2CYP2C9CYP2C19TSHRCES1
SCHEMBL11648 0.77 TAAR1 (0.37) TAAR1PTPN1
SCHEMBL12206912 0.77 CES1 (0.41) CYP1A2CYP2C9CYP2C19TSHRCES1
SCHEMBL17288517 0.76 SLC6A2 (0.43) CYP1A2CYP2C9CYP2C19TSHRCES1
SCHEMBL3712396 0.76 TAAR1 (0.48) CYP1A2CYP2C9CYP2C19CES1SMN1; SMN2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3239123-B1 METHOD OF PREPARING DIFLUORINATED ALCOHOL COMPOUND SAMHWA PAINTS IND CO LTD (KR) 2020-01-29 EP disclosed
US-10358412-B2 Method of preparing difluorinated alcohol compound SAMHWA PAINTS INDUSTRIES CO., LTD. (KR) 2019-07-23 US disclosed
US-20170313651-A1 METHOD OF PREPARING DIFLUORINATED ALCOHOL COMPOUND SAMHWA PAINTS INDUSTRIES CO., LTD. (KR) 2017-11-02 US disclosed
EP-3239123-A1 METHOD OF PREPARING DIFLUORINATED ALCOHOL COMPOUND Samhwa Paints Industries Co., Ltd. (KR) 2017-11-01 EP disclosed
US-20150210643-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR LABORATORIOS ALMIRALL, S.A. 2015-07-30 US disclosed
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-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-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-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
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-20100168161-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR LABORATORIOS ALMIRALL, S.A. (ES) 2010-07-01 US 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
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 (7 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 CYP1A2 546/4885CYP2C9 740/4885CYP2C19 880/4885
US-20100168161-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ADRB2, ADRB1, ADRA2C CYP1A2 215/4885CYP2C9 907/4885CYP2C19 678/4885
US-20090042933-A1 Derivatives of 4-(2-amino -1-hydroxyethyl)phenol as agonists of the Beta2 adrenergic receptor ADRB2, ADRA2C, ADRB1 CYP1A2 437/4885CYP2C9 611/4885CYP2C19 646/4885
US-20120115826-A2 Derivatives of 4-(2-Amino-1-Hydroxyethyl) Phenol as Agonists of the Beta2 AdrenergicReceptor ADRB2, ADRB1, ADRA2C CYP1A2 229/4885CYP2C9 957/4885CYP2C19 715/4885
US-20150210643-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ADRB2, ADRB1, ADRA2C CYP1A2 215/4885CYP2C9 907/4885CYP2C19 678/4885
US-20170313651-A1 METHOD OF PREPARING DIFLUORINATED ALCOHOL COMPOUND PFAS, ADH1C, ADH1A CYP1A2 729/4885CYP2C9 1068/4885CYP2C19 477/4885
US-10358412-B2 Method of preparing difluorinated alcohol compound PFAS, ADH1C, ADH1A CYP1A2 729/4885CYP2C9 1068/4885CYP2C19 477/4885

“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.