SCHEMBL2551854

SCHEMBL2551854

CC(C)COC(CBr)Cc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
SLC6A4 P31645 1/20 0.40
PPARG P37231 11/20 0.37
PPARA Q07869 11/20 0.37
ACACB O00763 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
FPR2 P25090 1/20 0.33

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
SCHEMBL12288693 0.83 SLC6A2 (0.46) SLC6A2SLC6A3SLC6A4PPARGPPARA
SCHEMBL12290347 0.83 SLC6A2 (0.44) SLC6A2SLC6A3SLC6A4PPARGPPARA
SCHEMBL2554529 0.79 SLC6A2 (0.52) SLC6A2SLC6A3SLC6A4PPARGPPARA
SCHEMBL2558920 0.72 SLC6A2 (0.57) SLC6A2SLC6A3SLC6A4PPARGPPARA
SCHEMBL2320829 0.72 SLC6A2 (0.57) SLC6A2SLC6A3SLC6A4PPARGPPARA
SCHEMBL764989 0.71 SLC6A2 (0.67) SLC6A2SLC6A3SLC6A4
SCHEMBL11224068 0.71 IDO1 (0.48) SLC6A2SLC6A3SLC6A4PPARGPPARA
SCHEMBL2557131 0.70 PPARA (0.48) SLC6A2SLC6A3PPARGPPARA
SCHEMBL11399686 0.69 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4PPARGPPARA
SCHEMBL27536785 0.68 SLC6A2 (0.47) SLC6A2SLC6A3SLC6A4PPARGPPARA

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 SLC6A2 3041/4885SLC6A3 2847/4885SLC6A4 2620/4885

“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.