SCHEMBL3678080

SCHEMBL3678080

CCC(=O)Nc1cc(Cl)c(OC)cc1O

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.55
HTT P42858 1/20 0.54
HPGD P15428 1/20 0.50
HSP90AA1 P07900 1/20 0.49
HSP90B1 P14625 1/20 0.49
MAPT P10636 2/20 0.48
MAPK1 P28482 1/20 0.48
AHR P35869 1/20 0.48
HMGCR P04035 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL15434035 0.88 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2HTTHPGDMAPT
SCHEMBL3676230 0.83 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MAPTMAPK1MEN1
SCHEMBL21765855 0.77 HTT (0.72) ALDH1A1SMN1; SMN2HTTMAPTMAPK1
SCHEMBL2792741 0.77 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HSP90AA1MAPTMAPK1
SCHEMBL28167755 0.76 HMGCR (0.75) ALDH1A1SMN1; SMN2HTTHPGDHSP90AA1
SCHEMBL21765858 0.76 CYP3A4 (0.56) ALDH1A1SMN1; SMN2HTTHPGDMAPT
SCHEMBL11691270 0.75 HTT (0.52) ALDH1A1SMN1; SMN2HTTMAPTMAPK1
SCHEMBL3680301 0.74 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HTTHPGDMAPT
SCHEMBL3680300 0.74 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HTTHPGDMAPT
SCHEMBL3404609 0.74 CYP3A4 (0.69) ALDH1A1SMN1; SMN2HTTHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820771-B2 copolymer of styrene, ethylvinylbenzene, divinylbenzene and trimethoxysilylpropyl(meth)acrylate, being in the form of nanobeads as reinforcing filler; tires or rubber semi-finished products intended for these tires MICHELIN RECHERCHE ET TECHNIQUE S. A. (CH) 2010-10-26 US disclosed
EP-1922074-B1 A COMBINATION OF COMPOUNDS, WHICH CAN BE USED IN THE TREATMENT OF RESPIRATORY DISEASES, ESPECIALLY CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND ASTHMA. ASTRAZENECA AB (SE) 2010-02-17 EP disclosed
US-20090298875-A1 A Combination of Compounds, Which Can be Used in the Treatment of Respiratory Diseases, Especially Chronic Obstructive Pulmonary Disease (COPD) and Asthma ASTRAZENECA AB (SE) 2009-12-03 US disclosed
US-20090215732-A1 COMBINATION OF COMPOUNDS, WHICH CAN BE USED IN THE TREATMENT OF RESPIRATORY DISEASES, ESPECIALLY CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND ASTHMA ASTRAZENECA AB (SE) 2009-08-27 US disclosed
CN-101296701-A A combination of compounds, which can be used in the treatment of respiratory diseases, especially chronic obstructive pulmonary disease (COPD) and asthma ASTRAZENECA AB (SE) 2008-10-29 CN disclosed
CN-101296698-A Combination of compounds for the treatment of respiratory diseases, in particular Chronic Obstructive Pulmonary Disease (COPD) and asthma ASTRAZENECA AB (SE) 2008-10-29 CN disclosed
US-20080194632-A1 Novel Piperidine Derivatives as Chemokine Receptor Modulators Useful for the Treatment of Respiratory Diseases ASTRAZENECA AB (SE) 2008-08-14 US disclosed
US-20080132644-A1 copolymer of styrene, ethylvinylbenzene, divinylbenzene and trimethoxysilylpropyl(meth)acrylate, being in the form of nanobeads as reinforcing filler; tires or rubber semi-finished products intended for these tires MICHELIN RECHERCHE ET TECHNIQUE S.A. (CH) 2008-06-05 US disclosed
EP-1922070-A1 A COMBINATION OF COMPOUNDS, WHICH CAN BE USED IN THE TREATMENT OF RESPIRATORY DISEASES, ESPECIALLY CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND ASTHMA AstraZeneca AB (SE) 2008-05-21 EP disclosed
EP-1922074-A1 A COMBINATION OF COMPOUNDS, WHICH CAN BE USED IN THE TREATMENT OF RESPIRATORY DISEASES, ESPECIALLY CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND ASTHMA. AstraZeneca AB (SE) 2008-05-21 EP disclosed
WO-2007024182-A1 A COMBINATION OF COMPOUNDS, WHICH CAN BE USED IN THE TREATMENT OF RESPIRATORY DISEASES, ESPECIALLY CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND ASTHMA. ASTRAZENECA AB (SE) 2007-03-01 WO disclosed
WO-2007024183-A1 A COMBINATION OF COMPOUNDS, WHICH CAN BE USED IN THE TREATMENT OF RESPIRATORY DISEASES, ESPECIALLY CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND ASTHMA ASTRAZENECA AB (SE) 2007-03-01 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-20090215732-A1 COMBINATION OF COMPOUNDS, WHICH CAN BE USED IN THE TREATMENT OF RESPIRATORY DISEASES, ESPECIALLY CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND ASTHMA NR3C1, NR3C2, CHRM3 ALDH1A1 876/4885SMN1; SMN2 3812/4885HTT 4774/4885
US-20080194632-A1 Novel Piperidine Derivatives as Chemokine Receptor Modulators Useful for the Treatment of Respiratory Diseases ACKR3, CCR5, CCR2 ALDH1A1 809/4885SMN1; SMN2 3256/4885HTT 4184/4885
US-20090298875-A1 A Combination of Compounds, Which Can be Used in the Treatment of Respiratory Diseases, Especially Chronic Obstructive Pulmonary Disease (COPD) and Asthma ADRB2, ADRB1, CHRM2 ALDH1A1 1195/4885SMN1; SMN2 2762/4885HTT 4745/4885

“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.