SCHEMBL2554543

SCHEMBL2554543

C=C(CCO)c1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.53
MAOB P27338 3/20 0.53
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
GSK3B P49841 2/20 0.40
TSHR P16473 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALOX15 P16050 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP2A6 P11509 1/20 0.36

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
SCHEMBL10595232 0.87 MAOA (0.50) MAOAMAOBCES2CES1GSK3B
SCHEMBL10673423 0.81 MAOA (0.57) MAOAMAOBCES2CES1GSK3B
SCHEMBL10415925 0.80 MAOA (0.52) MAOAMAOBCES2CES1GSK3B
SCHEMBL809720 0.78 MAOA (0.50) MAOAMAOBCES2CES1GSK3B
SCHEMBL3194118 0.77 HPGD (0.47) MAOAMAOBTSHRMAPK1ALDH1A1
SCHEMBL809973 0.77 MAOA (0.48) MAOAMAOBCES2CES1GSK3B
SCHEMBL2011999 0.77 MAOA (0.48) MAOAMAOBL3MBTL1LMNAALDH1A1
SCHEMBL952229 0.76 MAOA (0.50) MAOAMAOBL3MBTL1MAPK1LMNA
SCHEMBL10597283 0.75 MAOA (0.47) MAOAMAOBCES2CES1GSK3B
SCHEMBL13893181 0.75 MAOB (0.52) MAOAMAOBCES2CES1GSK3B

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 MAOA 173/4885MAOB 93/4885CES2 3107/4885

“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.