SCHEMBL321332

SCHEMBL321332

[c]1ccc(OCCOC2CCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
ADRB2 P07550 7/20 0.37
ADRB1 P08588 7/20 0.37
ADRB3 P13945 2/20 0.37
NFE2L2 Q16236 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL321232 0.93 HPGD (0.40) HPGDSMN1; SMN2ADRB2ADRB1ADRB3
SCHEMBL2469201 0.84 HPGD (0.36) HPGDSMN1; SMN2KDM4ECYP1A2CYP2D6
SCHEMBL29986014 0.81 KCNA3 (0.50) HPGDSMN1; SMN2ADRB2ADRB1ADRB3
SCHEMBL8335852 0.80 HPGD (0.51) HPGDSMN1; SMN2ADRB2ADRB1ADRB3
SCHEMBL320195 0.79 ADRB2 (0.52) HPGDKDM4ECYP1A2CYP2D6CYP2C19
Ethylene SCHEMBL27549601 0.79 HPGD (0.47) HPGDSMN1; SMN2ADRB2ADRB1ADRB3
SCHEMBL10785918 0.78 KCNA3 (0.43) KDM4EALDH1A1
SCHEMBL11519998 0.77 NFE2L2 (0.63) HPGDKDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL20869253 0.77 KDM4E (0.59) HPGDSMN1; SMN2KDM4ECYP1A2CYP2D6
SCHEMBL19455128 0.77 HPGD (0.52) HPGDKDM4ECYP1A2CYP2D6CYP2C19

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 HPGD 2482/4885SMN1; SMN2 2102/4885KDM4E 4571/4885

“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.