SCHEMBL5424014

SCHEMBL5424014

OCCOCc1cccc(SC2CCCC2)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.37
CRBN Q96SW2 2/20 0.37
MAOA P21397 4/20 0.36
MAOB P27338 4/20 0.36
LMNA P02545 1/20 0.34
GBA1 P04062 2/20 0.33
LCT P09848 2/20 0.33
SI P14410 2/20 0.33
UGCG Q16739 2/20 0.33
GBA2 Q9HCG7 2/20 0.33
MGAM O43451 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
KCNH2 Q12809 1/20 0.33
VCP P55072 1/20 0.32
MAPK1 P28482 1/20 0.32
ATM Q13315 2/20 0.32

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
SCHEMBL925026 0.81 DDB1 (0.52) DDB1CRBNMAOAMAOBOPRM1
SCHEMBL20485056 0.75 TSHR (0.42) MAPK1
SCHEMBL5213250 0.74 MAOA (0.42) DDB1CRBNMAOAMAOBOPRM1
SCHEMBL19277423 0.74 DDB1 (0.55) DDB1CRBNMAOAMAOBOPRM1
SCHEMBL30288394 0.74 DDB1 (0.55) DDB1CRBNMAOAMAOBOPRM1
SCHEMBL5443011 0.72 AKR1B1 (0.43) DDB1CRBNMAOAMAOBOPRM1
SCHEMBL926629 0.72 MAOA (0.34) DDB1CRBNMAOAMAOBVCP
SCHEMBL2566062 0.72 HTR6 (0.54) MAOAMAOBOPRM1OPRK1KCNH2
SCHEMBL19890876 0.71 MAOA (0.55) DDB1CRBNMAOAMAOBMAPK1
SCHEMBL2566058 0.71 PRMT6 (0.44) DDB1CRBNMAOAMAOBATM

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-20070135490-A1 Phenetanolamine derivatives GLAXO GROUP LIMITED (GB) 2007-06-14 US disclosed
EP-1675821-A1 PHENETANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2006-07-05 EP disclosed
WO-2005044787-A1 PHENETANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-05-19 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-20070135490-A1 Phenetanolamine derivatives ADRB2, ADRB1, ADRB3 DDB1 4695/4885CRBN 4183/4885MAOA 136/4885

“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.