SCHEMBL4966786

SCHEMBL4966786

CC(=O)CC1(c2ccccc2C(F)(F)F)CCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.50
EPHX2 P34913 1/20 0.42
HSD11B1 P28845 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NOTUM Q6P988 2/20 0.38
ORAI1 Q96D31 1/20 0.37
NFKB1 P19838 1/20 0.36
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
PDE7A Q13946 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
HSD11B2 P80365 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL984225 0.84 HDAC4 (0.49) HDAC4EPHX2HSD11B1HDAC3HDAC1
SCHEMBL4968721 0.83 HDAC4 (0.48) HDAC4EPHX2HSD11B1HDAC3HDAC1
SCHEMBL14263259 0.80 ORAI1 (0.46) HDAC4EPHX2HSD11B1HDAC3HDAC1
SCHEMBL27907596 0.74 HDAC4 (0.67) HDAC4EPHX2HSD11B1HDAC3HDAC1
SCHEMBL19469572 0.73 HDAC4 (0.65) HDAC4EPHX2HSD11B1HDAC3HDAC1
SCHEMBL10208797 0.73 SLC6A3 (0.53) HDAC4HSD11B1PDE7AMAOAMAOB
SCHEMBL26149433 0.73 SLC6A3 (0.54) EPHX2HSD11B1
SCHEMBL18742726 0.72 HDAC4 (0.63) HDAC4HSD11B1HDAC3HDAC1HDAC2
SCHEMBL4968726 0.71 HDAC4 (0.51) HDAC4EPHX2HSD11B1HDAC3HDAC1
SCHEMBL4555610 0.68 HDAC4 (0.62) HDAC4HDAC3HDAC1HDAC2HDAC6

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-1963287-A1 GLUCOCORTICOID RECEPTOR MODULATORS AS ANTIINFLAMMATORY AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-09-03 EP disclosed
US-7348322-B2 Glucocorticoid receptor modulators as antiinflammatory agents ROCHE PALO ALTO LLC (US) 2008-03-25 US disclosed
US-7348322-B2 Glucocorticoid receptor modulators as antiinflammatory agents ROCHE PALO ALTO LLC (US) 2008-03-25 US 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-20070135427-A1 Glucocorticoid receptor modulators 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-2007065828-A1 GLUCOCORTICOID RECEPTOR MODULATORS 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 (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-20070135427-A1 Glucocorticoid receptor modulators as antiinflammatory agents NR3C1, MC2R, NR3C2 HDAC4 1263/4885EPHX2 1311/4885HSD11B1 59/4885

“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.