SCHEMBL5040569

SCHEMBL5040569

CCOC(=O)COc1cc(C(OCC)C(=O)NCc2ccc(C#N)cc2)ccc1OC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.47
MAPK1 P28482 1/20 0.41
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE5A O76074 1/20 0.39
AKR1B1 P15121 1/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
ADRB3 P13945 1/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PRSS1 P07477 1/20 0.36
F7 P08709 1/20 0.36

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
SCHEMBL5037474 0.94 HIF1A (0.47) HIF1AMAPK1BCHEACHEALDH1A1
SCHEMBL5038211 0.86 F2 (0.51) MAPK1L3MBTL1F2F10PRSS1
Hydrochloric Acid SCHEMBL5038201 0.85 F2 (0.51) MAPK1L3MBTL1F2F10PRSS1
SCHEMBL5042104 0.84 KDM4E (0.45) HIF1AMAPK1ALDH1A1ROCK2ROCK1
SCHEMBL5042098 0.84 KDM4E (0.45) HIF1AMAPK1ALDH1A1ROCK2ROCK1
SCHEMBL5041159 0.80 PKM (0.50) ALDH1A1L3MBTL1SLC1A3SLC1A2
SCHEMBL5037472 0.79 MEN1 (0.43) HIF1AALDH1A1L3MBTL1
SCHEMBL5037795 0.76 F2 (0.55) MAPK1L3MBTL1F2F10PRSS1
Hydrochloric Acid SCHEMBL5038022 0.76 F2 (0.53) MAPK1L3MBTL1F2F10PRSS1
Hydrochloric Acid SCHEMBL5038024 0.76 F2 (0.53) MAPK1L3MBTL1F2F10PRSS1

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-1567498-B1 MANDELIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-23 EP disclosed
US-7129238-B2 Mandelic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2006-10-31 US disclosed
EP-1567498-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-31 EP disclosed
US-20040122057-A1 Novel mandelic acid derivatives HOFFMANN-LA ROCHE INC. 2004-06-24 US disclosed
WO-2004048335-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-06-10 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-20040122057-A1 Novel mandelic acid derivatives F7, F11, F9 HIF1A 251/4885MAPK1 401/4885BCHE 1876/4885

“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.