SCHEMBL2568099

SCHEMBL2568099

COc1ccc(COc2ccc(C(=O)C=O)c3ccc(=O)[nH]c23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
POLB P06746 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADRB2 P07550 5/20 0.39
ADRB1 P08588 3/20 0.39
HDAC8 Q9BY41 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
FFAR1 O14842 1/20 0.38
TNFRSF1A P19438 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
ADAMTS5 Q9UNA0 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
SCHEMBL97964 0.88 MMP1 (0.44) MMP1MMP9POLBNPC1RAB9A
SCHEMBL2798225 0.85 MMP1 (0.41) MMP1MMP9POLBNPC1RAB9A
SCHEMBL102846 0.85 HPGDS (0.43) MMP1MMP9POLBNPC1RAB9A
SCHEMBL10494462 0.81 ADRB2 (0.38) MMP1MMP9POLBNPC1RAB9A
SCHEMBL10494404 0.81 ADRB2 (0.38) MMP1MMP9POLBNPC1RAB9A
SCHEMBL10494458 0.81 ADRB2 (0.38) MMP1MMP9POLBNPC1RAB9A
SCHEMBL10494411 0.81 ADRB2 (0.38) MMP1MMP9POLBNPC1RAB9A
SCHEMBL10494413 0.81 ADRB2 (0.38) MMP1MMP9POLBNPC1RAB9A
SCHEMBL17962298 0.79 APP (0.44) MMP1MMP9POLBNPC1RAB9A
SCHEMBL10494330 0.76 ADRB2 (0.48) MMP1MMP9ADRB2ADRB1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013183-B1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ALMIRALL SA (ES) 2011-11-02 EP disclosed
US-20090082378-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE B2 ADRENERGIC RECEPTOR LABORATORIOS ALMIRALL, S.A. (ES) 2009-03-26 US disclosed
EP-2013183-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR Laboratorios Almirall, S.A. (ES) 2009-01-14 EP disclosed
WO-2007124898-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE β2 ADRENERGIC RECEPTOR LABORATORIOS, ALMIRALL S.A. (ES) 2007-11-08 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 (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-20090082378-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE B2 ADRENERGIC RECEPTOR ADRB2, ADRA2C, ADRB1 MMP1 3969/4885MMP9 4763/4885POLB 2185/4885

“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.