SCHEMBL321453

SCHEMBL321453

NC(=O)c1cc(O)ccc1OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.57
FOLH1 Q04609 1/20 0.55
HTT P42858 2/20 0.54
GAA P10253 1/20 0.52
LMNA P02545 1/20 0.51
SIRT2 Q8IXJ6 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
PARP10 Q53GL7 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ELANE P08246 3/20 0.49
F2 P00734 1/20 0.49
SGMS2 Q8NHU3 2/20 0.49

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
SCHEMBL344398 0.87 FOLH1 (0.70) FOLH1GAAL3MBTL1KDM4EALDH1A1
SCHEMBL4723723 0.85 LRRK2 (0.58) PARP1FOLH1LMNAKDM4EALDH1A1
SCHEMBL3729989 0.85 PTGER1 (0.64) PARP1FOLH1CYP2C9
SCHEMBL9431930 0.84 L3MBTL1 (0.65) FOLH1GAAL3MBTL1KDM4EALDH1A1
SCHEMBL718082 0.83 PARP1 (0.79) PARP1HTTGAALMNAPARP10
SCHEMBL6809852 0.82 FOLH1 (0.57) PARP1FOLH1HTTLMNASIRT2
SCHEMBL6170061 0.82 ALDH1A1 (0.59) PARP1FOLH1HTTLMNASIRT2
SCHEMBL321352 0.82 PARP1 (0.59) PARP1FOLH1HTTLMNAL3MBTL1
SCHEMBL27753579 0.82 SIRT2 (0.55) PARP1FOLH1HTTLMNASIRT2
SCHEMBL4649097 0.80 MEN1 (0.60) PARP1GAAALDH1A1POLBMAPT

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
EP-2670734-A1 NOVEL ETHER LINKED COMPOUNDS AND IMPROVED TREATMENTS FOR CARDIAC AND CARDIOVASCULAR DISEASE UNIVERSITY OF NOTTINGHAM (GB) 2013-12-11 EP disclosed
US-20130261178-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES MISTRY SHAILESH (GB) 2013-10-03 US disclosed
EP-2590937-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES The University Of Nottingham (GB) 2013-05-15 EP disclosed
WO-2012104659-A1 NOVEL ETHER LINKED COMPOUNDS AND IMPROVED TREATMENTS FOR CARDIAC AND CARDIOVASCULAR DISEASE UNIVERSITY OF NOTTINGHAM (GB) 2012-08-09 WO disclosed
WO-2012004549-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES THE UNIVERSITY OF NOTTINGHAM (GB) 2012-01-12 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-20130261178-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES NR3C2, NPR3, ADRB3 PARP1 3322/4885FOLH1 4477/4885HTT 4675/4885

“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.