SCHEMBL4167946

SCHEMBL4167946

OCCc1ccc(OCCOCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.59
EPHX2 P34913 1/20 0.59
TDP1 Q9NUW8 2/20 0.52
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
FFAR1 O14842 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
LMNA P02545 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49
CASP1 P29466 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SLCO1B3 Q9NPD5 1/20 0.49
SLCO1B1 Q9Y6L6 1/20 0.49
NPC1 O15118 1/20 0.47

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
SCHEMBL10758411 0.92 LTA4H (0.62) LTA4HEPHX2TDP1CYP4F2CYP4A11
SCHEMBL1594868 0.87 ALDH1A1 (0.55) LTA4HEPHX2LMNAALDH1A1MEN1
SCHEMBL4162422 0.87 LTA4H (0.52) LTA4HEPHX2TDP1FFAR1L3MBTL1
SCHEMBL24041843 0.86 ALDH1A1 (0.63) LTA4HEPHX2TDP1CYP4F2CYP4A11
SCHEMBL5700 0.84 LTA4H (0.80) LTA4HEPHX2TDP1CYP4F2CYP4A11
SCHEMBL5175258 0.84 FFAR1 (0.67) LTA4HEPHX2TDP1CYP4F2CYP4A11
SCHEMBL16594362 0.84 TSHR (0.56) LTA4HTDP1L3MBTL1LMNAMAPK1
SCHEMBL4169813 0.84 TDP1 (0.52) LTA4HEPHX2TDP1FFAR1L3MBTL1
Phenoxyethanol SCHEMBL29035722 0.84 ALDH1A1 (0.53) LTA4HEPHX2TDP1CYP4F2CYP4A11
SCHEMBL29066838 0.83 ALDH1A1 (0.60) LTA4HEPHX2CYP4F2CYP4A11LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105309-A1 Medicinal Compounds GLAXO GROUP LIMITED (GB) 2009-04-23 US disclosed
EP-1675823-B1 PHENETHANOLAMINE DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LTD (GB) 2008-07-23 EP disclosed
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
US-4672071-A Antihypertensive dihydropyridine compositions, optical isomers and intermediates SYNTEX (U.S.A.) INC. (US) 1987-06-09 US disclosed
EP-0191448-A2 Antihypertensive dihydropyridine derivatives SYNTEX (U.S.A.) INC. (US) 1986-08-20 EP disclosed
US-4595690-A Hypotensive agents SYNTEX (U.S.A.) INC. (US) 1986-06-17 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 (2 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 LTA4H 504/4885EPHX2 496/4885TDP1 3436/4885
US-20090105309-A1 Medicinal Compounds ADRB2, ADRB1, ADRB3 LTA4H 94/4885EPHX2 1016/4885TDP1 4766/4885

“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.