SCHEMBL5281505

SCHEMBL5281505

C[Si](C)(C)CCOCOc1ccc(CO)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
LTA4H P09960 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
PTGER4 P35408 1/20 0.36
TP53 P04637 1/20 0.35
MDM2 Q00987 1/20 0.35
NR1H4 Q96RI1 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLCO1B3 Q9NPD5 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35

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
SCHEMBL6043425 0.88 CYP11B1 (0.38) CYSLTR1PPARGPPARAPTGER4MAPK1
SCHEMBL6041748 0.85 CYP11B1 (0.36) CYSLTR1PPARGPPARAPTGER4NR1H4
SCHEMBL5287005 0.83 KDR (0.43) CYSLTR1TP53NR1H4MAPK1SMN1; SMN2
SCHEMBL6041849 0.83 TDP1 (0.33) HRH3TP53MDM2ALDH1A1LMNA
SCHEMBL4050696 0.83 TP53 (0.33) HRH3LTA4HTP53MDM2KMT2A
SCHEMBL16241937 0.83 TP53 (0.35) HRH3TP53MDM2ALDH1A1LMNA
SCHEMBL13986929 0.83 KEAP1 (0.49) TP53MDM2
SCHEMBL11889100 0.82 LTA4H (0.46) LTA4HLMNA
SCHEMBL23580858 0.81 NPC1 (0.41) SMN1; SMN2FYN
SCHEMBL292142 0.79 TP53 (0.32) TP53MDM2CYP3A4

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
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-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 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
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 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 HRH3 31/4885LTA4H 504/4885CYSLTR1 855/4885
US-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 HRH3 404/4885LTA4H 1225/4885CYSLTR1 2454/4885

“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.