SCHEMBL2230091

SCHEMBL2230091

CCC(=O)C(C(=O)OC)=C(CC)OC

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TET2 Q6N021 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL2230088 1.00 ALDH1A1 (0.32) ALDH1A1TET2EGLN1NPSR1
SCHEMBL2230082 1.00 ALDH1A1 (0.32) ALDH1A1TET2EGLN1NPSR1
SCHEMBL5515832 0.77 ALDH1A1 (0.37) ALDH1A1TET2EGLN1
SCHEMBL5515827 0.77 ALDH1A1 (0.37) ALDH1A1TET2EGLN1
SCHEMBL120572 0.75
SCHEMBL14629550 0.74 ALDH1A1 (0.34) ALDH1A1
SCHEMBL9083959 0.73 GAA (0.42) ALDH1A1EGLN1NPSR1
SCHEMBL7068975 0.72
SCHEMBL29057321 0.72
SCHEMBL2231628 0.71 ALDH1A1 (0.31) ALDH1A1TET2EGLN1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
EP-2182953-A2 NEW PYRAZOL DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-05-12 EP disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
WO-2009013211-A2 NEW PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 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-20090029963-A1 PYRAZOL DERIVATIVES CCR1, CCR3, CCRL2 ALDH1A1 1476/4885TET2 4664/4885EGLN1 2771/4885

“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.