SCHEMBL5288094

SCHEMBL5288094

O=C(OCc1ccccc1)c1cccc(CCCCO)c1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.68
CYP4A11 Q02928 3/20 0.68
TDP1 Q9NUW8 3/20 0.61
KMT2A Q03164 3/20 0.61
SLC6A2 P23975 1/20 0.61
SLC6A3 Q01959 1/20 0.61
RAB9A P51151 6/20 0.55
NPC1 O15118 4/20 0.55
LMNA P02545 4/20 0.53
ALDH1A1 P00352 6/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
KDM4E B2RXH2 2/20 0.52
MAPT P10636 4/20 0.50
HTT P42858 1/20 0.48
JMJD6 Q6NYC1 1/20 0.48
SLC7A5 Q01650 1/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 1/20 0.46

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
SCHEMBL5280009 0.89 TDP1 (0.61) CYP4F2CYP4A11TDP1KMT2ASLC6A2
SCHEMBL15012759 0.83 TDP1 (0.71) CYP4F2CYP4A11TDP1KMT2ASLC6A2
SCHEMBL312910 0.83 TDP1 (0.81) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL18540811 0.81 CYP4A11 (1.00) CYP4F2CYP4A11RAB9AALDH1A1SMN1; SMN2
SCHEMBL6158855 0.81 KMT2A (0.67) CYP4F2CYP4A11TDP1KMT2ASLC6A2
SCHEMBL13469247 0.80 TDP1 (0.71) CYP4F2CYP4A11TDP1KMT2ASLC6A2
SCHEMBL318600 0.80 TDP1 (0.71) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL5280086 0.80 CYP4F2 (0.67) CYP4F2CYP4A11KMT2A
SCHEMBL5251461 0.80 CYP4F2 (0.69) CYP4F2CYP4A11RAB9ANPC1LMNA
SCHEMBL31752933 0.79 CYP4A11 (0.97) CYP4F2CYP4A11RAB9AALDH1A1SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497261-B1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LTD (GB) 2007-12-19 EP disclosed
US-7271197-B2 Phenethanolamine derivatives GLAXO GROUP LIMITED (GB) 2007-09-18 US disclosed
US-20050256201-A1 Phenethanolamine derivatives GLAXO GROUP LIMITED 2005-11-17 US disclosed
EP-1497261-A1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-01-19 EP disclosed
WO-2003091204-A1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-11-06 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-20050256201-A1 Phenethanolamine derivatives PNMT, PHOSPHO1, NAPEPLD CYP4F2 564/4885CYP4A11 1158/4885TDP1 3436/4885

“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.