SCHEMBL326941

SCHEMBL326941

CC(C)OCCOc1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.53
NR5A1 Q13285 1/20 0.53
HPGD P15428 1/20 0.47
PTGS1 P23219 2/20 0.45
SLC6A2 P23975 2/20 0.45
APP P05067 1/20 0.45
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
ESR1 P03372 4/20 0.44
ESR2 Q92731 4/20 0.44
CYP19A1 P11511 3/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
CYP1A2 P05177 2/20 0.42
LMNA P02545 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGS2 P35354 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL17888645 0.94 APP (0.53) LTA4HNR5A1HPGDPTGS1SLC6A2
SCHEMBL15784498 0.88 ESR1 (0.50) LTA4HNR5A1HPGDSLC6A2ESR1
SCHEMBL9550949 0.86 LTA4H (0.52) LTA4HNR5A1PTGS1SLC6A2APP
SCHEMBL14850495 0.83 HPGD (0.49) HPGDADRB2ADRB1ADRB3CYP19A1
SCHEMBL226548 0.82 LTA4H (0.64) LTA4HNR5A1PTGS1SLC6A2APP
SCHEMBL7931115 0.80 KDM4E (0.47) HPGDDRD2DRD4DRD3LMNA
SCHEMBL29324799 0.80 KMT2A (0.51) HPGDLMNA
SCHEMBL6310156 0.80 TDP1 (0.63) LTA4HHPGDPTGS1APPPTGS2
SCHEMBL6346893 0.79 HPGD (0.43) HPGDADRB2ADRB1ADRB3
SCHEMBL6564405 0.79 KCNA3 (0.56) LTA4HHPGDPTGS1LMNACHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 LTA4H 2032/4885NR5A1 98/4885HPGD 2482/4885

“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.