SCHEMBL4035997

SCHEMBL4035997

CCc1cc(O)c(C(C)=O)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.46
CYP3A4 P08684 4/20 0.46
HTT P42858 3/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALOX15 P16050 4/20 0.44
ALOX12 P18054 3/20 0.44
HSD17B1 P14061 2/20 0.42
MAOA P21397 4/20 0.40
MAOB P27338 4/20 0.40
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 1/20 0.38
CA9 Q16790 1/20 0.37

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
SCHEMBL16334782 0.92 HTT (0.50) HPGDCYP3A4HTTMEN1CYP1A2
SCHEMBL18339211 0.85 TSHR (0.43) ALOX15ALOX12ALDH1A1CA9TSHR
SCHEMBL30122728 0.82 PRKCE (0.49) HPGDCYP3A4HTTMEN1CYP1A2
SCHEMBL17201031 0.80 CA12 (0.47) KMT2ASMN1; SMN2TDP1CA9TSHR
SCHEMBL22324063 0.79 HTT (0.50) HPGDCYP3A4HTTMEN1CYP1A2
SCHEMBL470885 0.79 HSD17B1 (0.38) HPGDCYP3A4CYP1A2CYP2D6SMN1; SMN2
SCHEMBL24456198 0.79 ALOX15 (0.59) HTTMEN1KMT2AALOX15ALOX12
SCHEMBL2011280 0.78 HTT (0.65) HPGDCYP3A4HTTMEN1CYP1A2
SCHEMBL16736693 0.77 ALOX15 (0.47) HPGDHTTMEN1KMT2ASMN1; SMN2
SCHEMBL4261356 0.76 HTT (0.47) HPGDCYP3A4HTTMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601754-B2 Flavonoid compounds as therapeutic antioxidants ANTOXIS LIMITED (GB) 2009-10-13 US disclosed
US-7601754-B2 Flavonoid compounds as therapeutic antioxidants ANTOXIS LIMITED (GB) 2009-10-13 US disclosed
US-7601754-B2 Flavonoid compounds as therapeutic antioxidants ANTOXIS LIMITED (GB) 2009-10-13 US disclosed
EP-1534698-B1 FLAVONOID COMPOUNDS AS THERAPEUTIC ANTIOXIDANTS ROWETT RES INST (GB) 2007-09-19 EP disclosed
EP-1534698-B1 FLAVONOID COMPOUNDS AS THERAPEUTIC ANTIOXIDANTS ROWETT RES INST (GB) 2007-09-19 EP disclosed
US-20060137207-A1 Flavonoid compounds as therapeutic antioxidants ANTOXIS LIMITED (GB) 2006-06-29 US disclosed
EP-1534698-A1 FLAVONOID COMPOUNDS AS THERAPEUTIC ANTIOXIDANTS The Rowett Research Institute (GB) 2005-06-01 EP disclosed
WO-2004007475-A1 FLAVONOID COMPOUNDS AS THERAPEUTIC ANTIOXIDANTS ROWETT RESEARCH INSTITUTE (GB) 2004-01-22 WO disclosed