SCHEMBL983366

SCHEMBL983366

CCOC(=O)C(=CC1(c2ccccc2C(F)(F)F)CCC1)OCC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.42
EPHX2 P34913 3/20 0.40
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
GAA P10253 1/20 0.36
CACNA1C Q13936 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL983365 1.00 HDAC4 (0.42) HDAC4EPHX2KDM4EALDH1A1MEN1
SCHEMBL12922380 1.00 HDAC4 (0.42) HDAC4EPHX2KDM4EALDH1A1MEN1
SCHEMBL983980 0.91 HDAC4 (0.42) HDAC4KDM4EALDH1A1MEN1KMT2A
SCHEMBL983979 0.91 HDAC4 (0.42) HDAC4KDM4EALDH1A1MEN1KMT2A
SCHEMBL12922379 0.91 HDAC4 (0.42) HDAC4KDM4EALDH1A1MEN1KMT2A
SCHEMBL12948587 0.79 HDAC4 (0.36) HDAC4KDM4EALDH1A1MEN1KMT2A
SCHEMBL5644746 0.78 CASP1 (0.41) HDAC4ALDH1A1MEN1KMT2AGAA
SCHEMBL4555828 0.76 HDAC4 (0.50) HDAC4EPHX2KDM4EALDH1A1MEN1
SCHEMBL983451 0.72 HDAC4 (0.49) HDAC4EPHX2MEN1KMT2AGAA
SCHEMBL18769750 0.70 HDAC4 (0.37) HDAC4EPHX2KDM4EALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960351-B1 PROPIONAMIDE COMPOUNDS AS ANTIINFLAMMATORY AGENTS HOFFMANN LA ROCHE (CH) 2013-06-19 EP disclosed
US-7868031-B2 Propionamide compounds as antiinflammatory agents ROCHE PALO ALTO LLC (US) 2011-01-11 US disclosed
EP-1963287-A1 GLUCOCORTICOID RECEPTOR MODULATORS AS ANTIINFLAMMATORY AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-09-03 EP disclosed
EP-1960351-A1 PROPIONAMIDE COMPOUNDS AS ANTIINFLAMMATORY AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-08-27 EP disclosed
US-7348322-B2 Glucocorticoid receptor modulators as antiinflammatory agents ROCHE PALO ALTO LLC (US) 2008-03-25 US disclosed
US-20070135427-A1 Glucocorticoid receptor modulators as antiinflammatory agents ROCHE PALO ALTO LLC 2007-06-14 US disclosed
US-20070135500-A1 Propionamide compounds as antiinflammatory agents ROCHE PALO ALTO LLC 2007-06-14 US disclosed
WO-2007065821-A1 PROPIONAMIDE COMPOUNDS AS ANTIINFLAMMATORY AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-14 WO disclosed
WO-2007065828-A1 GLUCOCORTICOID RECEPTOR MODULATORS AS ANTIINFLAMMATORY AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-14 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 (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-20070135500-A1 Propionamide compounds as antiinflammatory agents PTGS1, PTGER1, PTGES3 HDAC4 1566/4885EPHX2 625/4885KDM4E 3457/4885
US-20070135427-A1 Glucocorticoid receptor modulators as antiinflammatory agents NR3C1, MC2R, NR3C2 HDAC4 1263/4885EPHX2 1311/4885KDM4E 3688/4885

“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.