SCHEMBL4650316

SCHEMBL4650316

O=C1OC2(c3ccc(O)cc3Oc3c(I)c(O)c(I)c(I)c32)c2c(I)c(I)c(I)c(I)c21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.50
ALOX12 P18054 2/20 0.50
ALDH1A1 P00352 2/20 0.50
BRCA1 P38398 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX15 P16050 1/20 0.50
FTO Q9C0B1 8/20 0.46
RECQL P46063 4/20 0.46
TDP1 Q9NUW8 4/20 0.46
MEN1 O00255 3/20 0.46
BLM P54132 3/20 0.46
KMT2A Q03164 3/20 0.46
ACE2 Q9BYF1 2/20 0.46
SMAD3 P84022 2/20 0.46
MAPT P10636 2/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
PRMT1 Q99873 1/20 0.46
THRB P10828 3/20 0.41

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
SCHEMBL23860297 0.88 RECQL (0.57) HPGDALOX12ALDH1A1BRCA1HSD17B10
SCHEMBL23860298 0.88 HPGD (0.46) HPGDALOX12ALDH1A1BRCA1HSD17B10
SCHEMBL486832 0.86 HPGD (0.64) HPGDALOX12ALDH1A1BRCA1HSD17B10
SCHEMBL1263259 0.85 HPGD (0.63) HPGDALOX12ALDH1A1BRCA1HSD17B10
SCHEMBL4304748 0.85 HPGD (0.63) HPGDALOX12ALDH1A1BRCA1HSD17B10
SCHEMBL6389146 0.82 HPGD (0.54) HPGDALOX12ALDH1A1BRCA1HSD17B10
SCHEMBL15106845 0.81 HPGD (0.48) HPGDALOX12ALDH1A1BRCA1HSD17B10
SCHEMBL11206362 0.81 HPGD (0.52) HPGDALOX12ALDH1A1BRCA1HSD17B10
SCHEMBL7454803 0.79 ALDH1A1 (0.50) HPGDALOX12ALDH1A1BRCA1HSD17B10
SCHEMBL16432229 0.76 HPGD (0.58) HPGDALOX12ALDH1A1BRCA1HSD17B10

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
EP-1753467-A4 DIAGNOSTIC AGENTS FOR POSITRON EMISSION IMAGING USING RADIOLABELED HALOGENATED XANTHENES AND METHODS FOR POSITRON EMISSION IMAGING WITH RADIOLABELED HALOGENATED XANTHENE DIAGNOSTIC AGENTS XANTECH PHARMACEUTICALS INC (US) 2008-09-17 EP claimed
EP-1753467-A1 DIAGNOSTIC AGENTS FOR POSITRON EMISSION IMAGING USING RADIOLABELED HALOGENATED XANTHENES AND METHODS FOR POSITRON EMISSION IMAGING WITH RADIOLABELED HALOGENATED XANTHENE DIAGNOSTIC AGENTS Xantech Pharmaceuticals, Inc. (US) 2007-02-21 EP claimed
WO-2006001925-A1 DIAGNOSTIC AGENTS FOR POSITRON EMISSION IMAGING USING RADIOLABELED HALOGENATED XANTHENES AND METHODS FOR POSITRON EMISSION IMAGING WITH RADIOLABELED HALOGENATED XANTHENE DIAGNOSTIC AGENTS XANTECH PHARMACEUTICALS, INC. (US) 2006-01-05 WO claimed
EP-1753467-A4 DIAGNOSTIC AGENTS FOR POSITRON EMISSION IMAGING USING RADIOLABELED HALOGENATED XANTHENES AND METHODS FOR POSITRON EMISSION IMAGING WITH RADIOLABELED HALOGENATED XANTHENE DIAGNOSTIC AGENTS XANTECH PHARMACEUTICALS INC (US) 2008-09-17 EP disclosed
EP-1753467-A1 DIAGNOSTIC AGENTS FOR POSITRON EMISSION IMAGING USING RADIOLABELED HALOGENATED XANTHENES AND METHODS FOR POSITRON EMISSION IMAGING WITH RADIOLABELED HALOGENATED XANTHENE DIAGNOSTIC AGENTS Xantech Pharmaceuticals, Inc. (US) 2007-02-21 EP disclosed
WO-2006001925-A1 DIAGNOSTIC AGENTS FOR POSITRON EMISSION IMAGING USING RADIOLABELED HALOGENATED XANTHENES AND METHODS FOR POSITRON EMISSION IMAGING WITH RADIOLABELED HALOGENATED XANTHENE DIAGNOSTIC AGENTS XANTECH PHARMACEUTICALS, INC. (US) 2006-01-05 WO disclosed
EP-1578454-A1 ULTRASOUND CONTRAST USING HALOGENATED XANTHENES Xantech Pharmaceuticals, Inc. (US) 2005-09-28 EP disclosed
WO-2004052407-A1 ULTRASOUND CONTRAST USING HALOGENATED XANTHENES XANTECH PHARMACEUTICALS, INC. (US) 2004-06-24 WO disclosed