SCHEMBL582053

SCHEMBL582053

CC(Cc1cccc(CC(C)c2cc(Br)c(O)c(Br)c2)c1)c1cc(Br)c(O)c(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.42
ESR2 Q92731 1/20 0.42
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
CYP2C19 P33261 2/20 0.36
PNMT P11086 1/20 0.36
CYP3A4 P08684 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
TSHR P16473 1/20 0.34
ALOX15 P16050 3/20 0.34
ALOX12 P18054 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TP53 P04637 2/20 0.34
HPGD P15428 2/20 0.34
MAPK1 P28482 2/20 0.34
RECQL P46063 2/20 0.34

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
SCHEMBL1324546 0.85 ESR1 (0.42) ESR1ESR2GABRA1GABRB2CRHBP
SCHEMBL237757 0.81 ESR1 (0.43) ESR1ESR2GABRA1GABRB2CYP2C19
SCHEMBL27981343 0.78 ADRB2 (0.38) ESR1ESR2CYP3A4TDP1TSHR
SCHEMBL1956103 0.78 ADRB2 (0.38) ESR1ESR2CYP3A4TDP1TSHR
SCHEMBL901082 0.78 ADRB2 (0.38) ESR1ESR2CYP3A4TDP1TSHR
SCHEMBL144607 0.77 ESR1 (0.71) ESR1ESR2CYP2C19PNMTCYP3A4
SCHEMBL27981742 0.74 PTPN1 (0.41) ESR1ESR2CYP2C19TSHRHIF1A
SCHEMBL901085 0.74 PTPN1 (0.41) ESR1ESR2CYP2C19TSHRHIF1A
SCHEMBL3175987 0.74 KDM4E (0.52) ESR1ESR2CYP2C19CYP3A4TDP1
SCHEMBL3684825 0.74 TAAR1 (0.50) ESR1ESR2SLC6A2SLC6A3TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6576739-B2 Conversion of the hindered bisphenol to the corresponding bischloroformate and subsequent treatment with an amine catalyst and an aqueous base to effect polymerization by hydrolysis and condenstation of bischloroformate groups GENERAL ELECTRIC COMPANY 2003-06-10 US claimed
US-20020111456-A1 Method of polycarbonate preparation SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2002-08-15 US claimed
WO-2001085825-A2 METHOD OF POLYCARBONATE PREPARATION GENERAL ELECTRIC COMPANY (US) 2001-11-15 WO claimed
EP-1307499-B2 CONTINUOUS PREPARATION OF POLYCARBONATE GEN ELECTRIC (US) 2012-02-15 EP disclosed
EP-1307499-B1 CONTINUOUS PREPARATION OF POLYCARBONATE GEN ELECTRIC (US) 2006-10-25 EP disclosed
US-6576739-B2 Conversion of the hindered bisphenol to the corresponding bischloroformate and subsequent treatment with an amine catalyst and an aqueous base to effect polymerization by hydrolysis and condenstation of bischloroformate groups GENERAL ELECTRIC COMPANY 2003-06-10 US disclosed
US-6562937-B2 Endcapping with phenol GENERAL ELECTRIC COMPANY 2003-05-13 US disclosed
US-20020111456-A1 Method of polycarbonate preparation SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2002-08-15 US disclosed
US-20020035234-A1 Continuous preparation of polycarbonate GENERAL ELECTRIC COMPANY 2002-03-21 US disclosed