SCHEMBL3840431

SCHEMBL3840431

COc1ccc(Cc2ccc(OC)cc2Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ HTR2A P28223 3/20 0.48
▸ SLC6A4 P31645 3/20 0.48
▸ KCNH2 Q12809 2/20 0.48
▸ SLC5A2 P31639 4/20 0.45
▸ SLC5A1 P13866 3/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL28301168 0.89 LTA4H (0.56) LTA4HALDH1A1HTR2ASLC6A4KCNH2
SCHEMBL11843492 0.86 SLC6A4 (0.47) LTA4HALDH1A1LMNASMN1; SMN2HTR2A
SCHEMBL11464397 0.85 CA1 (0.53) ALDH1A1SMN1; SMN2
SCHEMBL28131051 0.81 LTA4H (0.60) LTA4HALDH1A1LMNASMN1; SMN2SLC5A2
SCHEMBL7342450 0.80 LTA4H (0.54) LTA4H
SCHEMBL5612174 0.79 APLNR (0.59) LTA4HALDH1A1
SCHEMBL7846076 0.79 LTA4H (0.52) LTA4HSLC5A1
SCHEMBL11457464 0.79 LDHA (0.48) —
SCHEMBL8340513 0.79 SLC6A4 (0.47) ALDH1A1HTR2ASLC6A4KCNH2
SCHEMBL4510419 0.79 ALDH1A1 (0.53) ALDH1A1HTR2ASLC6A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641465-B1 COMBINATIONS OF AN ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONIST AND A CORTICOSTEROID THERAVANCE INC (US) 2009-11-04 — — EP disclosed
US-7582765-B2 Aryl aniline β2 adrenergic receptor agonists THERAVANCE, INC. (US) 2009-09-01 — — US disclosed
US-7553971-B2 Aryl aniline β2 adrenergic receptor agonists THERAVANCE, INC. (US) 2009-06-30 — — US disclosed
EP-1446379-B1 ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONISTS THERAVANCE INC (US) 2009-04-29 — — EP disclosed
US-20070225329-A1 Aryl aniline beta2 adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2007-09-27 — — US disclosed
US-7125892-B2 Aryl aniline β2 adrenergic receptor agonists THERAVANCE, INC. (US) 2006-10-24 — — US disclosed
US-20060178410-A1 Preparation of N-{2-[4-(3-phenyl-4-methoxyphenyl)aminophenyl]ethyl}-2-hydroxy-2-(3-hydroxymethyl-4-hydroxyphenyl)ethylamine, for example; for the treatment of pulmonary diseases such as asthma and chronic obstructive pulmonary disease THERAVANCE BIOPHARMA R&D IP, LLC 2006-08-10 — — US disclosed
EP-1641465-A2 COMBINATIONS OF AN ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONIST AND A CORTICOSTEROID Theravance, Inc. (US) 2006-04-05 — — EP disclosed
WO-2005025555-A2 COMBINATIONS OF AN ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONIST AND A CORTICOSTEROID THERAVANCE, INC. (US) 2005-03-24 — — WO disclosed
EP-1446379-A1 ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONISTS Theravance, Inc. (US) 2004-08-18 — — EP disclosed
US-20040063755-A1 Aryl aniline beta2 adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2004-04-01 — — US disclosed
US-6670376-B1 Asthma or chronic obstructive pulmonary disease; pre-term labor, neurological and cardiac disorders, inflammation; N-(2-(4-(3-phenyl-4-methoxyphenyl) aminophenyl)ethyl)-(R)-2-hydroxy-2-(3- hydroxymethyl-4-hydroxyphenyl)ethylamine THERAVANCE, INC. 2003-12-30 — — US disclosed
US-20030229058-A1 Aryl aniline beta2 adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2003-12-11 — — US disclosed
WO-2003042164-A1 ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONISTS THERAVANCE, INC (US) 2003-05-22 — — WO disclosed
EP-0510812-A1 Angiotensin II antagonists incorporating a substituted thiophene or furan MERCK & CO. INC. (US) 1992-10-28 — — EP 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 (4 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-20070225329-A1 Aryl aniline beta2 adrenergic receptor agonists ADRB2, ADRB3, ADRB1 LTA4H 1665/4885ALDH1A1 614/4885LMNA 1340/4885
US-20040063755-A1 Aryl aniline beta2 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 LTA4H 1579/4885ALDH1A1 402/4885LMNA 1334/4885
US-20060178410-A1 Preparation of N-{2-[4-(3-phenyl-4-methoxyphenyl)aminophenyl]ethyl}-2-hydroxy-2-(3-hydroxymethyl-4-hydroxyphenyl)ethylamine, for example; for the treatment of pulmonary diseases such as asthma and chronic obstructive pulmonary disease ADRB2, ADRB3, ADRA2C LTA4H 223/4885ALDH1A1 1132/4885LMNA 1902/4885
US-20030229058-A1 Aryl aniline beta2 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 LTA4H 1561/4885ALDH1A1 397/4885LMNA 1375/4885

“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.

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