SCHEMBL2883398

SCHEMBL2883398

Brc1cc(Br)c(OCC(Br)C(Br)COc2c(Br)cc(Br)cc2Br)c(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
TSHR P16473 2/20 0.44
THRB P10828 4/20 0.38
THRA P10827 3/20 0.38
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALOX15 P16050 3/20 0.32
ALOX12 P18054 2/20 0.32
KLK1 P06870 1/20 0.32
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
HRH3 Q9Y5N1 2/20 0.31
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30

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
SCHEMBL10192340 1.00 ALDH1A1 (0.44) ALDH1A1TSHRTHRBTHRACYP3A4
SCHEMBL5440832 0.81 ALDH1A1 (0.67) ALDH1A1TSHRTHRBTHRACYP3A4
SCHEMBL5478851 0.80 TSHR (0.58) ALDH1A1TSHRTHRBTHRACYP3A4
SCHEMBL9319827 0.77 TSHR (0.48) ALDH1A1TSHRTHRBTHRACYP3A4
SCHEMBL11691799 0.77 ALDH1A1 (0.41) ALDH1A1TSHRTHRBTHRAHSD17B10
SCHEMBL680993 0.77 TSHR (0.48) ALDH1A1TSHRTHRBTHRACYP3A4
SCHEMBL3645963 0.77 SCN4A (0.48) ALDH1A1TSHRTHRBTHRACYP3A4
SCHEMBL4354925 0.76 THRB (0.55) ALDH1A1TSHRTHRBTHRAHSD17B10
SCHEMBL94118 0.75 KLK1 (0.45) ALDH1A1TSHRTHRBTHRACYP3A4
SCHEMBL11451272 0.75 TSHR (0.39) ALDH1A1TSHRTHRBTHRACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2115051-B1 FLAME RETARDANTS FOR USE IN STYRENIC FOAMS CHEMTURA CORP (US) 2012-07-11 EP claimed
JP-2010520355-A 2010-06-10 JP claimed
EP-2115051-A2 FLAME RETARDANTS FOR USE IN STYRENIC FOAMS CHEMTURA CORPORATION (US) 2009-11-11 EP claimed
EP-1383490-A4 COMBINATION OF EPOTHILONE ANALOGS AND CHEMOTHERAPEUTIC AGENTS FOR THE TREATMENT OF PROLIFERATIVE DISEASES BRISTOL MYERS SQUIBB CO (US) 2009-03-18 EP claimed
WO-2008121135-A2 FLAME RETARDANTS FOR USE IN STYRENIC FOAMS CHEMTURA CORPORATION (US) 2008-10-09 WO claimed
US-20080221230-A1 Flame retardants for use in styrenic foams LANXESS SOLUTIONS US INC. 2008-09-11 US claimed
EP-1383490-A1 COMBINATION OF EPOTHILONE ANALOGS AND CHEMOTHERAPEUTIC AGENTS FOR THE TREATMENT OF PROLIFERATIVE DISEASES Bristol-Myers Squibb Company (US) 2004-01-28 EP claimed
WO-2002072085-A1 COMBINATION OF EPOTHILONE ANALOGS AND CHEMOTHERAPEUTIC AGENTS FOR THE TREATMENT OF PROLIFERATIVE DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-09-19 WO claimed
EP-2115051-B1 FLAME RETARDANTS FOR USE IN STYRENIC FOAMS CHEMTURA CORP (US) 2012-07-11 EP disclosed
US-8084511-B2 1,4-bis(2,4,6-tribromophenoxy)-2,3-dibromobutene ( containg both aromatic bromo and internal olefin groups) as flame retardant and extruded polystyrene foam; minimal impact on health and the environment; heat and chemical resistance CHEMTURA CORPORATION (US) 2011-12-27 US disclosed
US-8084511-B2 1,4-bis(2,4,6-tribromophenoxy)-2,3-dibromobutene ( containg both aromatic bromo and internal olefin groups) as flame retardant and extruded polystyrene foam; minimal impact on health and the environment; heat and chemical resistance CHEMTURA CORPORATION (US) 2011-12-27 US disclosed
US-8084511-B2 1,4-bis(2,4,6-tribromophenoxy)-2,3-dibromobutene ( containg both aromatic bromo and internal olefin groups) as flame retardant and extruded polystyrene foam; minimal impact on health and the environment; heat and chemical resistance CHEMTURA CORPORATION (US) 2011-12-27 US disclosed
EP-2115051-A2 FLAME RETARDANTS FOR USE IN STYRENIC FOAMS CHEMTURA CORPORATION (US) 2009-11-11 EP disclosed
WO-2008121135-A2 FLAME RETARDANTS FOR USE IN STYRENIC FOAMS CHEMTURA CORPORATION (US) 2008-10-09 WO disclosed
WO-2008121135-A2 FLAME RETARDANTS FOR USE IN STYRENIC FOAMS CHEMTURA CORPORATION (US) 2008-10-09 WO disclosed
US-20080221230-A1 Flame retardants for use in styrenic foams LANXESS SOLUTIONS US INC. 2008-09-11 US disclosed
US-20080221230-A1 Flame retardants for use in styrenic foams LANXESS SOLUTIONS US INC. 2008-09-11 US disclosed
US-20080221230-A1 Flame retardants for use in styrenic foams LANXESS SOLUTIONS US INC. 2008-09-11 US 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-20080221230-A1 Flame retardants for use in styrenic foams AFF1, AFF2, AFF4 ALDH1A1 705/4885TSHR 73/4885THRB 616/4885

“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.