SCHEMBL2797955

SCHEMBL2797955

COc1cc(CC#N)ccc1OCC(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
MAPK1 P28482 1/20 0.49
NPC1 O15118 5/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
USP2 O75604 1/20 0.46
MAPT P10636 1/20 0.46
CYP3A4 P08684 1/20 0.45
HIF1A Q16665 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
EPAS1 Q99814 1/20 0.45
POLB P06746 1/20 0.44
ATM Q13315 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL9787132 0.80 MEN1 (0.71) TDP1L3MBTL1LMNAHTTNPC1
SCHEMBL6583892 0.79 NPC1 (0.53) TDP1L3MBTL1LMNAHTTMAPK1
SCHEMBL6355596 0.79 MEN1 (0.56) LMNANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL30028270 0.79 MEN1 (0.56) LMNANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL29620410 0.78 POLB (0.71) TDP1L3MBTL1LMNAHTTMAPK1
SCHEMBL9787268 0.78 POLB (0.71) TDP1L3MBTL1LMNAHTTMAPK1
SCHEMBL2793970 0.77 MAPT (0.56) TDP1L3MBTL1LMNAHTTMAPK1
SCHEMBL7367373 0.77 CA2 (0.46) LMNAHTTNPC1RAB9ASMN1; SMN2
SCHEMBL2794469 0.76 KMT2A (0.54) TDP1L3MBTL1LMNAHTTMAPK1
SCHEMBL77974 0.76 CA2 (0.61) CYP3A4HIF1ANPSR1POLBATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2057122-B1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE 2 ADRENERGIC RECEPTOR ALMIRALL SA (ES) 2010-09-01 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
EP-2057122-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE 2 ADRENERGIC RECEPTOR Laboratorios Almirall, S.A. (ES) 2009-05-13 EP disclosed
WO-2008046598-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE β2 ADRENERGIC RECEPTOR LABORATORIOS ALMIRALL, S.A. (ES) 2008-04-24 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 (2 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-20100168161-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ADRB2, ADRB1, ADRA2C TDP1 2533/4885L3MBTL1 4699/4885LMNA 2215/4885
US-20150210643-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ADRB2, ADRB1, ADRA2C TDP1 2533/4885L3MBTL1 4699/4885LMNA 2215/4885

“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.