SCHEMBL320195

SCHEMBL320195

Oc1ccc(OCCOC2CCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.52
ADRB1 P08588 4/20 0.52
ADRB3 P13945 2/20 0.52
HPGD P15428 1/20 0.50
LTA4H P09960 3/20 0.44
NR5A1 Q13285 1/20 0.44
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
APP P05067 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
SCHEMBL321956 0.93 LTA4H (0.47) ADRB2ADRB1ADRB3HPGDLTA4H
SCHEMBL10990120 0.87 FOXM1 (0.53) ADRB2ADRB1ADRB3HPGDLTA4H
SCHEMBL17888517 0.85 ADRB2 (0.42) ADRB2ADRB1ADRB3HPGDLTA4H
SCHEMBL29986014 0.81 KCNA3 (0.50) ADRB2ADRB1ADRB3HPGD
SCHEMBL19455128 0.81 HPGD (0.52) ADRB2ADRB1HPGDKDM4ECYP1A2
SCHEMBL20869253 0.81 KDM4E (0.59) ADRB2ADRB1HPGDKDM4ECYP1A2
SCHEMBL11519998 0.81 NFE2L2 (0.63) HPGDLTA4HKDM4ECYP1A2CYP2D6
SCHEMBL321228 0.80 FOXM1 (0.63) HPGDLTA4HKDM4ECYP1A2CYP2C19
SCHEMBL29951540 0.80 HPGD (0.49) ADRB2ADRB1ADRB3HPGDKDM4E
SCHEMBL8335852 0.80 HPGD (0.51) ADRB2ADRB1ADRB3HPGD

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-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
US-4515814-A AND CARDIOVASCULAR DISORDERS SYNTHELABO (FR) 1985-05-07 US 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 ADRB2 18/4885ADRB1 14/4885ADRB3 3/4885

“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.