SCHEMBL2554435

SCHEMBL2554435

CCOC(=O)C(Cc1ccc(C)cc1)OCC

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.52
PPARG P37231 10/20 0.52
PPARD Q03181 7/20 0.52
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MMP8 P22894 1/20 0.42

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
SCHEMBL6419166 0.88 PPARA (0.54) PPARAPPARGPPARD
SCHEMBL977513 0.88 PPARA (0.54) PPARAPPARGPPARD
SCHEMBL977514 0.88 PPARA (0.54) PPARAPPARGPPARD
SCHEMBL3965096 0.88 PPARA (0.50) PPARAPPARGPPARDMMP8
SCHEMBL6513434 0.87 PPARA (0.52) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL2556064 0.87 PPARA (0.51) PPARAPPARG
SCHEMBL13649255 0.87 PPARA (0.49) PPARAPPARGPPARD
SCHEMBL1856323 0.87 PPARA (0.49) PPARAPPARGPPARD
SCHEMBL4075927 0.87 PPARA (0.49) PPARAPPARGPPARD
SCHEMBL3541115 0.86 MMP8 (0.56) PPARAPPARGPPARDMMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2555623-A1 FLAVIN DERIVATIVES BioRelix, Inc. (US) 2013-02-13 EP disclosed
US-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 US disclosed
US-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 US disclosed
US-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 US disclosed
WO-2011126567-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-10-13 WO disclosed
WO-2011126567-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-10-13 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-20130029980-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS PPARA 1427/4885PPARG 1119/4885PPARD 602/4885

“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.