SCHEMBL983979

SCHEMBL983979

CCO/C(=C\C1(c2ccccc2C(F)(F)F)CCC1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
GAA P10253 2/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CACNA1C Q13936 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
SCHEMBL983980 1.00 HDAC4 (0.42) HDAC4SMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL12922379 1.00 HDAC4 (0.42) HDAC4SMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL12922380 0.91 HDAC4 (0.42) HDAC4SMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL983365 0.91 HDAC4 (0.42) HDAC4SMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL983366 0.91 HDAC4 (0.42) HDAC4SMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL12948587 0.79 HDAC4 (0.36) HDAC4SMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL5643619 0.78 ALDH1A1 (0.37) HDAC4SMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL983451 0.72 HDAC4 (0.49) HDAC4MEN1KMT2AGAA
SCHEMBL4555828 0.71 HDAC4 (0.50) HDAC4KDM4EALDH1A1MEN1KMT2A
SCHEMBL19469572 0.69 HDAC4 (0.65) HDAC4MEN1KMT2ATDP1GAA

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-20070135500-A1 Propionamide compounds as antiinflammatory agents ROCHE PALO ALTO LLC 2007-06-14 US disclosed
US-20070135427-A1 Glucocorticoid receptor modulators 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 1566/4885SMN1; SMN2 3256/4885KDM4E 3457/4885
US-20070135427-A1 Glucocorticoid receptor modulators as antiinflammatory agents NR3C1, MC2R, NR3C2 HDAC4 1263/4885SMN1; SMN2 4746/4885KDM4E 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.