SCHEMBL2015029

SCHEMBL2015029

CCC(=CC(F)(F)C(F)(F)COCC=Cc1ccccc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.39
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
PSEN1 P49768 1/20 0.39
NPC1 O15118 4/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
IDO1 P14902 2/20 0.36
PAM P19021 1/20 0.36
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL2683579 0.79 PTGER4 (0.45) NPC1POLBKMT2AMEN1IDO1
SCHEMBL2683581 0.79 PTGER4 (0.45) NPC1POLBKMT2AMEN1IDO1
SCHEMBL2012568 0.78 IDO1 (0.45) ALOX5NPC1POLBIDO1PAM
SCHEMBL2012572 0.78 IDO1 (0.45) ALOX5NPC1POLBIDO1PAM
SCHEMBL2015024 0.77 NPC1 (0.41) NPC1KMT2AMEN1RAB9A
SCHEMBL2015026 0.77 NPC1 (0.41) NPC1KMT2AMEN1RAB9A
SCHEMBL2010703 0.74 IDO1 (0.46) ALOX5IDO1PAM
SCHEMBL2010704 0.74 IDO1 (0.46) ALOX5IDO1PAM
SCHEMBL8625969 0.72 IDO1 (0.47) IDO1PAM
SCHEMBL8621304 0.71 IDO1 (0.53) IDO1PAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 PPARG 584/4885PTGES 1493/4885ALOX5 2454/4885
US-20110251165-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ADRB2, ADRA2C, ADRB3 PPARG 630/4885PTGES 1448/4885ALOX5 2631/4885
US-20120101075-A2 Derivatives of 4-(2-Amino-1-Hydroxyethyl) Phenol as Agonists of the Beta2 Adrenergic Receptor ADRB2, ADRB1, ADRA2C PPARG 133/4885PTGES 548/4885ALOX5 1255/4885

“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.