SCHEMBL321956

SCHEMBL321956

Oc1ccc(OCCOC2CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.47
NR5A1 Q13285 1/20 0.47
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
APP P05067 1/20 0.44
HPGD P15428 1/20 0.43
DRD4 P21917 2/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS2 P35354 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HIF1A Q16665 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL320195 0.93 ADRB2 (0.52) LTA4HNR5A1ADRB2ADRB1ADRB3
SCHEMBL17888517 0.88 ADRB2 (0.42) LTA4HNR5A1ADRB2ADRB1ADRB3
SCHEMBL226548 0.81 LTA4H (0.64) LTA4HNR5A1APPDRD4DRD2
SCHEMBL10187345 0.81 NFE2L2 (0.54) LTA4HAPPHPGDPTGS1PTGS2
SCHEMBL23742245 0.81 KDM4E (0.50) ADRB2ADRB1HPGDDRD4DRD2
SCHEMBL10990120 0.81 FOXM1 (0.53) LTA4HADRB2ADRB1ADRB3HPGD
SCHEMBL321232 0.77 HPGD (0.40) ADRB2ADRB1ADRB3HPGD
SCHEMBL31364354 0.77 HPGD (0.52) HPGDLMNA
SCHEMBL26763986 0.77 KDM4E (0.51) APPLMNA
SCHEMBL25756996 0.77 KMT2A (0.50) HPGDLMNA

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 98/4885ADRB2 18/4885

“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.