SCHEMBL4600849

SCHEMBL4600849

O=C(O)c1ccc(C(=O)OC(Br)(Br)c2ccc(Br)c(Br)c2Br)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.36
NOTUM Q6P988 1/20 0.35
SRD5A2 P31213 1/20 0.34
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
CA12 O43570 2/20 0.33
CA3 P07451 2/20 0.33
CA6 P23280 2/20 0.33
CA5A P35218 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TYR P14679 1/20 0.33
DRD1 P21728 1/20 0.33
CA4 P22748 1/20 0.33
MAPT P10636 2/20 0.33

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
SCHEMBL5704095 0.80 NOTUM (0.32) NOTUM
SCHEMBL4601311 0.80
SCHEMBL11142330 0.79 NOTUM (0.31) NOTUM
SCHEMBL11358287 0.75 CYP2D6 (0.36) TSHRNOTUMCYP2C19
SCHEMBL6353676 0.73 HPGD (0.33) HTTALDH1A1MAPT
SCHEMBL6353265 0.71 HPGD (0.33)
Acrylic Acid SCHEMBL3135012 0.71 THRB (0.33)
SCHEMBL709529 0.70 ALDH1A1 (0.31) ALDH1A1
SCHEMBL6361567 0.70
SCHEMBL9416551 0.69 GSTP1 (0.30)

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3166980-B1 PREPARATION OF BROMINE-CONTAINING POLYMERS AND THEIR APPLICATION AS FLAME RETARDANTS BROMINE COMPOUNDS LTD (IL) 2020-03-18 EP disclosed
US-20190144754-A1 PROCESS FOR PREPARING BROMINE- CONTAINING POLYMERS BROMINE COMPOUNDS LTD. (IL) 2019-05-16 US disclosed
US-10227531-B2 Preparation of bromine-containing polymers and their application as flame retardants BROMINE COMPOUNDS LTD. (IL) 2019-03-12 US disclosed
US-9988332-B2 Preparation of bromine-containing aromatic compounds and their application as flame retardants BROMINE COMPOUNDS LTD. (IL) 2018-06-05 US disclosed
EP-2941411-B1 PREPARATION OF BROMINE-CONTAINING AROMATIC COMPOUNDS AND THEIR APPLICATION AS FLAME RETARDANTS BROMINE COMPOUNDS LTD (IL) 2018-03-21 EP disclosed
US-20170145313-A1 PREPARATION OF BROMINE-CONTAINING POLYMERS AND THEIR APPLICATION AS FLAME RETARDANTS BROMINE COMPOUNDS LTD. (IL) 2017-05-25 US disclosed
EP-3166980-A1 PREPARATION OF BROMINE-CONTAINING POLYMERS AND THEIR APPLICATION AS FLAME RETARDANTS Bromine Compounds Ltd. (IL) 2017-05-17 EP disclosed
US-20170022133-A1 PREPARATION OF BROMINE-CONTAINING AROMATIC COMPOUNDS AND THEIR APPLICATION AS FLAME RETARDANTS BROMINE COMPOUNDS LTD. (IL) 2017-01-26 US disclosed
EP-2764071-B1 FLAME RETARDANTS, PROCESSES FOR THEIR PREPARATION AND USES THEREOF IN POLYURETHANE AND POLYISOCYANURATE FOAMS BROMINE COMPOUNDS LTD (IL) 2016-12-07 EP disclosed
US-9481621-B2 Preparation of bromine-containing aromatic compounds and their application as flame retardants BROMINE COMPOUNDS LTD. (IL) 2016-11-01 US disclosed
EP-1470097-B1 PENTABROMOBENZYL ALKYL ETHERS AND THEIR USE AS FIRE RETARDANTS BROMINE COMPOUNDS LTD (IL) 2008-04-16 EP disclosed
US-20070267608-A1 Novel Fire Retardants BROMINE COMPOUNDS LTD. (IL) 2007-11-22 US disclosed
CN-1319923-C Pentabromobenzyl alkyl ethers and their use as fire retardants BROMINE COMPOUNDS LTD (IL) 2007-06-06 CN disclosed
EP-1773934-A2 NOVEL FIRE RETARDANTS Bromine Compounds Ltd. (IL) 2007-04-18 EP disclosed
US-7091270-B2 Pentabromobenzyl alkyl ethers and their use as fire retardants BROMINE COMPOUNDS LTD. (IL) 2006-08-15 US disclosed
WO-2006006154-A2 NOVEL FIRE RETARDANTS BROMINE COMPOUNDS LTD. (IL) 2006-01-19 WO disclosed
US-20050124746-A1 Pentabromobenzyl alkyl ethers and their use as fire retardants BROMINE COMPOUNDS LTD. (IL) 2005-06-09 US disclosed
CN-1625540-A Pentabromobenzyl alkyl ethers and their use as fire retardants BROMINE COMPOUNDS LTD (IL) 2005-06-08 CN disclosed
EP-1470097-A1 PENTABROMOBENZYL ALKYL ETHERS AND THEIR USE AS FIRE RETARDANTS Bromine Compounds Ltd. (IL) 2004-10-27 EP disclosed
WO-2003064361-A1 PENTABROMOBENZYL ALKYL ETHERS AND THEIR USE AS FIRE RETARDANTS BROMINE COMPOUNDS LTD. (IL) 2003-08-07 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 (2 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-20170022133-A1 PREPARATION OF BROMINE-CONTAINING AROMATIC COMPOUNDS AND THEIR APPLICATION AS FLAME RETARDANTS CBR3, CBR1, AHR TSHR 785/4885TP53 2760/4885HTT 3557/4885
US-20070267608-A1 Novel Fire Retardants COXFA4, NDUFS5, SQOR TSHR 3009/4885TP53 591/4885HTT 2856/4885

“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.