SCHEMBL2567938

SCHEMBL2567938

O=C1c2ccccc2C(=O)N1CCCCCCOCCCOCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
ACHE P22303 7/20 0.55
MAPT P10636 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAOB P27338 1/20 0.52

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
SCHEMBL2565857 0.97 TDP1 (0.61) TDP1L3MBTL1ACHEMAPTRAB9A
SCHEMBL2567987 0.97 TDP1 (0.61) TDP1L3MBTL1ACHEMAPTRAB9A
SCHEMBL20492122 0.97 TDP1 (0.65) TDP1L3MBTL1ACHEMAPTRAB9A
SCHEMBL26813218 0.91 SMN1; SMN2 (0.53) TDP1L3MBTL1ACHEMAPTRAB9A
SCHEMBL6043712 0.91 MAPT (0.64) TDP1L3MBTL1ACHEMAPTRAB9A
SCHEMBL9760236 0.90 SMN1; SMN2 (0.51) TDP1L3MBTL1ACHEMAPTRAB9A
SCHEMBL9021226 0.87 TDP1 (0.82) TDP1L3MBTL1ACHEMAPTRAB9A
SCHEMBL10337042 0.86 MAPT (0.64) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL816698 0.85 MAPK1 (0.57) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL10557663 0.83 MAPT (0.69) TDP1L3MBTL1MAPTRAB9ASMN1; 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 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 TDP1 3636/4885L3MBTL1 4420/4885ACHE 1697/4885

“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.