SCHEMBL14263259

SCHEMBL14263259

O=C(Cc1ccccc1)C(=O)CC1(c2ccccc2C(F)(F)F)CCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 1/20 0.46
HDAC4 P56524 1/20 0.45
CES1 P23141 2/20 0.44
CES2 O00748 1/20 0.44
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
EPHX2 P34913 1/20 0.41
CNR2 P34972 1/20 0.40
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
POLB P06746 3/20 0.36
GAA P10253 1/20 0.36
PPARG P37231 1/20 0.35
HSD11B1 P28845 1/20 0.35
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTR2B P41595 1/20 0.34
MAPK14 Q16539 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 0.87 HDAC4 (0.49) ORAI1HDAC4EPHX2HDAC3HDAC1
SCHEMBL4966786 0.80 HDAC4 (0.50) ORAI1HDAC4EPHX2HDAC3HDAC1
SCHEMBL4968721 0.77 HDAC4 (0.48) ORAI1HDAC4EPHX2HDAC3HDAC1
SCHEMBL19469572 0.71 HDAC4 (0.65) ORAI1HDAC4EPHX2HDAC3HDAC1
SCHEMBL27907596 0.70 HDAC4 (0.67) ORAI1HDAC4EPHX2HDAC3HDAC1
SCHEMBL5079254 0.69 HDAC4 (0.39) ORAI1HDAC4EPHX2NPSR1KDM4E
SCHEMBL10208797 0.68 SLC6A3 (0.53) HDAC4HSD11B1
SCHEMBL18742726 0.67 HDAC4 (0.63) ORAI1HDAC4HDAC3HDAC1HDAC2
SCHEMBL4555610 0.67 HDAC4 (0.62) ORAI1HDAC4HDAC3HDAC1HDAC2
SCHEMBL574185 0.66 CES1 (1.00) CES1CES2FNTAFNTBEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ORAI1 3379/4885HDAC4 1263/4885CES1 915/4885

“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.