SCHEMBL2556064

SCHEMBL2556064

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.51
PPARG P37231 12/20 0.51
EPHX2 P34913 1/20 0.50
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TNF P01375 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
CCR6 P51684 1/20 0.44
RUNX1 Q01196 1/20 0.44
CBFB Q13951 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NOD2 Q9HC29 1/20 0.44

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
SCHEMBL2554435 0.87 PPARA (0.52) PPARAPPARG
SCHEMBL3965096 0.85 PPARA (0.50) PPARAPPARG
SCHEMBL977514 0.85 PPARA (0.54) PPARAPPARG
SCHEMBL6419166 0.85 PPARA (0.54) PPARAPPARG
SCHEMBL977513 0.85 PPARA (0.54) PPARAPPARG
SCHEMBL1856323 0.84 PPARA (0.49) PPARAPPARGLMNAKDM4EALDH1A1
SCHEMBL6513434 0.84 PPARA (0.52) PPARAPPARGLMNAMAPTNPSR1
SCHEMBL13649255 0.84 PPARA (0.49) PPARAPPARGLMNAKDM4EALDH1A1
SCHEMBL4075927 0.84 PPARA (0.49) PPARAPPARGLMNAKDM4EALDH1A1
SCHEMBL3541115 0.83 MMP8 (0.56) PPARAPPARG

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 1119/4885EPHX2 1490/4885

“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.