SCHEMBL1950402

SCHEMBL1950402

CCOC(=O)c1cc(Cl)c(OCc2ccc(OC)cc2)cc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSP90AA1 P07900 1/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
MAOA P21397 1/20 0.45
GAA P10253 1/20 0.45
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
CYP3A4 P08684 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 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
SCHEMBL1792176 0.89 ALDH1A1 (0.52) MAOBALDH1A1KDM4ECYP1A2CYP2C9
SCHEMBL1950961 0.85 MRGPRX4 (0.54) MAOBALDH1A1KDM4ECYP1A2CYP2C9
SCHEMBL9356533 0.84 MAOB (0.50) MAOBALDH1A1KDM4ECYP1A2CYP2C9
SCHEMBL3933561 0.82 ALDH1A1 (0.53) MAOBALDH1A1KDM4ECYP1A2CYP2C9
SCHEMBL4570534 0.81 MAOB (0.47) MAOBALDH1A1KDM4EMAOAGAA
SCHEMBL4751869 0.81 ALDH1A1 (0.43) MAOBALDH1A1KDM4ECYP1A2CYP2C9
SCHEMBL4448654 0.81 HSP90AA1 (0.49) MAOBALDH1A1KDM4ECYP1A2CYP2C9
SCHEMBL3613914 0.80 ALDH1A1 (0.53) MAOBALDH1A1KDM4ECYP1A2CYP2C9
SCHEMBL19821457 0.78 MEN1 (0.54) MAOBCYP2C9CYP2C19HSP90AA1CA12
SCHEMBL4185038 0.78 KDM4E (0.58) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19

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
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
EP-2125728-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) 2009-12-02 EP disclosed
WO-2008103125-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
WO-2008096136-A1 COMBINATIONS WITH A MUSCARINIC RECEPTOR ANTAGONIST ARGENTA DISCOVERY LTD (GB) 2008-08-14 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-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 MAOB 1343/4885ALDH1A1 683/4885KDM4E 1888/4885

“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.