SCHEMBL321689

SCHEMBL321689

[c]1ccc(OCCOCC2CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
ADRB1 P08588 3/20 0.36
LMNA P02545 2/20 0.36
CYP2D6 P10635 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
ADRB2 P07550 2/20 0.36
GAA P10253 1/20 0.36
BLM P54132 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
ADRB3 P13945 1/20 0.35
ATF4 P18848 1/20 0.33

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
SCHEMBL751432 0.83 PARP15 (0.50) PARP15PARP10PARP2SIGMAR1
SCHEMBL1928007 0.80 TSHR (0.46) CHEK1SMN1; SMN2PARP15PARP10PARP2
SCHEMBL833958 0.79 NFE2L2 (0.51)
SCHEMBL20590552 0.79 TDP1 (0.47) SMN1; SMN2LMNAMEN1CYP1A2KMT2A
SCHEMBL321289 0.79 ADRB1 (0.50) CHEK1PARP15PARP10PARP2ADRB1
SCHEMBL7323296 0.79 CTSL (0.37) LMNASIGMAR1
SCHEMBL10785918 0.78 KCNA3 (0.43) PARP10GAA
SCHEMBL920652 0.78 HRH3 (0.45)
SCHEMBL7333026 0.77 ADRB1 (0.41) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL4621588 0.76 ADRB1 (0.43) ADRB1LMNACYP2D6MEN1CYP1A2

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 CHEK1 4257/4885SMN1; SMN2 2102/4885PARP15 3001/4885

“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.