SCHEMBL1789837

SCHEMBL1789837

COC(=O)CCc1ccc(F)cc1OC[C@@H]1CO1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
GLA P06280 1/20 0.43
FFAR1 O14842 5/20 0.39
PDE4D Q08499 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
FFAR4 Q5NUL3 3/20 0.37
MGLL Q99685 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
VDR P11473 1/20 0.36
SCN9A Q15858 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
SCHEMBL10915417 0.86 ALDH1A1 (0.52) ALDH1A1GLAMGLLKMT2A
SCHEMBL3144157 0.79 PDE4D (0.36) ALDH1A1FFAR1PDE4DHDAC3HDAC1
SCHEMBL3144159 0.79 PDE4D (0.36) ALDH1A1FFAR1PDE4DHDAC3HDAC1
SCHEMBL4715136 0.78 ALDH1A1 (0.44) ALDH1A1GLAFFAR1FFAR4MGLL
SCHEMBL3136895 0.78 ALDH1A1 (0.44) ALDH1A1GLAFFAR1FFAR4MGLL
SCHEMBL1790123 0.77 ALDH1A1 (0.49) ALDH1A1GLAMEN1KMT2AVDR
SCHEMBL4212242 0.77 FFAR4 (0.53) ALDH1A1GLAFFAR4MEN1KMT2A
SCHEMBL1789834 0.76 ALDH1A1 (0.43) ALDH1A1GLAFFAR1HDAC3HDAC1
SCHEMBL23674873 0.74 CYP11B1 (0.41) ALDH1A1HDAC1CYP11B1CYP11B2FFAR4
SCHEMBL30100749 0.74 CYP11B1 (0.41) ALDH1A1HDAC1CYP11B1CYP11B2FFAR4

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-20110136843-A1 Novel Combination of Compounds to be Used in the Treatment of Airway Diseases, Especially Chronic Obstructive Pulmonary Disease (COPD) and Asthma ASTRAZENECA AB (SE) 2011-06-09 US disclosed
US-20110124613-A1 Novel Combination of Compounds to be Used in the Treatment of Airway Diseases, Especially Chronic Obstructive Pulmonary Disease (COPD) and Asthma ASTRAZENECA AB (SE) 2011-05-26 US disclosed
US-20100081692-A1 Novel 1-Benzyl-4-Piperidinamines that are Useful in the Treatment of COPD and Asthma ASTRAZENECA AB (SE) 2010-04-01 US disclosed
EP-2120935-A1 NOVEL COMBINATION OF COMPOUNDS TO BE USED IN THE TREATMENT OF AIRWAY DISEASES, ESPECIALLY CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND ASTHMA AstraZeneca AB (SE) 2009-11-25 EP disclosed
WO-2008103126-A1 NOVEL COMBINATION OF COMPOUNDS TO BE USED IN THE TREATMENT OF AIRWAY DISEASES, ESPECIALLY CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND ASTHMA ASTRAZENECA AB (SE) 2008-08-28 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 (3 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-20110124613-A1 Novel Combination of Compounds to be Used in the Treatment of Airway Diseases, Especially Chronic Obstructive Pulmonary Disease (COPD) and Asthma GRK5, ADRB2, GRK2 ALDH1A1 1412/4885GLA 3139/4885FFAR1 604/4885
US-20110136843-A1 Novel Combination of Compounds to be Used in the Treatment of Airway Diseases, Especially Chronic Obstructive Pulmonary Disease (COPD) and Asthma CCR1, CCR5, CCR3 ALDH1A1 683/4885GLA 4553/4885FFAR1 328/4885
US-20100081692-A1 Novel 1-Benzyl-4-Piperidinamines that are Useful in the Treatment of COPD and Asthma CCR1, CCR4, CCR10 ALDH1A1 260/4885GLA 4477/4885FFAR1 169/4885

“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.