SCHEMBL564589

SCHEMBL564589

CC(C)(Cc1ccc(O)cc1)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
LMNA P02545 3/20 0.46
ESR1 P03372 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MTOR P42345 1/20 0.46
BCHE P06276 2/20 0.45
ACHE P22303 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43

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
SCHEMBL17468499 0.86 MEN1 (0.51) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL563606 0.81 KMT2A (0.49) MEN1KMT2AHTTL3MBTL1ALDH1A1
SCHEMBL18527956 0.80 MEN1 (0.51) BLMMEN1KMT2AHTTL3MBTL1
SCHEMBL567235 0.78 KMT2A (0.54) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL17468515 0.77 LIPG (0.45) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL20163753 0.77 MEN1 (0.53) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL8773482 0.76 MEN1 (0.69) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL17258048 0.76 KMT2A (0.51) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL4148049 0.76 BLM (0.53) BLMMEN1KMT2AFNTAFNTB
SCHEMBL17258003 0.74 MEN1 (0.54) MEN1KMT2AHTTL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035169-A1 AEROSOL FORMULATION FOR THE INHALATION OF BETA-AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 US disclosed
US-8044046-B2 Medicaments for the treatment of chronic obstructive pulmonary disease BOEHRINGER INGELHEIM PHARMA GMBH & CO KG (DE) 2011-10-25 US disclosed
US-7786111-B2 Medicaments for the treatment of chronic obstructive pulmonary disease BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-08-31 US disclosed
US-7727984-B2 R-6-Hydroxy-8-{1-hydroxy-2-[2-(4-methoxy-phenyl)-1,1-dimethyl-ethylamino ]-ethyl}-4H-benzo[1,4]oxazin-3-one, or an acid addition salt thereof; betamimetics; for administration once a day for treating COPD BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2010-06-01 US disclosed
US-20090092558-A1 6-Hydroxy-8-{1-hydroxy-2-[2-(p-alkoxy- or carboxyalkoxyphenyl)-1,1-dimethylethylamino]ethyl}4H-benzo[1,4]oxazin-3-ones, e.g., 6-hydroxy-8-{1-hydroxy-2-[2-(4-phenoxyacetic acid)-1,1-dimethylethylamino]- ethyl}-4H-benzo[1,4]oxazin-3-one; betamimetics BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-09 US disclosed
US-20080293710-A1 Aerosol formulation for the inhalation of beta-agonists AVEN MICHAEL 2008-11-27 US disclosed
US-20070155741-A1 Medicaments for the Treatment of Chronic Obstructive Pulmonary Disease BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-07-05 US disclosed
US-7056916-B2 Medicaments for the treatment of chronic obstructive pulmonary disease BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-06-06 US disclosed
US-20060106213-A1 New Medicaments for the Treatment of Chronic Obstructive Pulmonary Disease BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-05-18 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 (5 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-20060106213-A1 New Medicaments for the Treatment of Chronic Obstructive Pulmonary Disease SLC26A4, CHRM1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 BLM 3565/4885MEN1 2742/4885KMT2A 4389/4885
US-20080293710-A1 Aerosol formulation for the inhalation of beta-agonists ADRB1, ADRB2, ADRB3 BLM 2238/4885MEN1 2115/4885KMT2A 4674/4885
US-20120035169-A1 AEROSOL FORMULATION FOR THE INHALATION OF BETA-AGONISTS ADRB1, ADRB2, ADRB3 BLM 2238/4885MEN1 2115/4885KMT2A 4674/4885
US-20090092558-A1 6-Hydroxy-8-{1-hydroxy-2-[2-(p-alkoxy- or carboxyalkoxyphenyl)-1,1-dimethylethylamino]ethyl}4H-benzo[1,4]oxazin-3-ones, e.g., 6-hydroxy-8-{1-hydroxy-2-[2-(4-phenoxyacetic acid)-1,1-dimethylethylamino]- ethyl}-4H-benzo[1,4]oxazin-3-one; betamimetics CHRM1, CHRM2, ADRA2C BLM 3126/4885MEN1 1466/4885KMT2A 1568/4885
US-20070155741-A1 Medicaments for the Treatment of Chronic Obstructive Pulmonary Disease H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SLC26A4, CHRM1 BLM 3151/4885MEN1 2509/4885KMT2A 4409/4885

“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.