SCHEMBL5047781

SCHEMBL5047781

COc1ccc(C(OC)C(=O)O)cc1OC1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 13/20 0.56
PDE4B Q07343 11/20 0.56
PDE4D Q08499 10/20 0.56
PDE4C Q08493 9/20 0.56
MAPK14 Q16539 1/20 0.53
POLB P06746 1/20 0.52

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
SCHEMBL5319215 0.83 ACHE (0.59)
SCHEMBL7363850 0.81 PDE4A (0.53) PDE4APDE4BPDE4DPDE4CPOLB
SCHEMBL27537534 0.81 PDE4A (0.56) PDE4APDE4BPDE4DPDE4CMAPK14
SCHEMBL3181116 0.81 PDE4A (0.65) PDE4APDE4BPDE4DPDE4C
SCHEMBL7175088 0.80 PDE4A (0.65) PDE4APDE4BPDE4DPDE4C
SCHEMBL7180229 0.79 PDE4A (0.60) PDE4APDE4BPDE4DPDE4C
SCHEMBL5610531 0.79 PDE4A (0.59) PDE4APDE4BPDE4DPDE4C
SCHEMBL7331340 0.79 PDE4A (0.58) PDE4APDE4BPDE4DPDE4C
SCHEMBL20325922 0.79 PTGS2 (0.50)
SCHEMBL13799356 0.79 PDE4A (0.61) PDE4APDE4BPDE4DPDE4C

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 PDE4A 1548/4885PDE4B 1664/4885PDE4D 1815/4885

“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.