SCHEMBL6360929

SCHEMBL6360929

CCCCC(CC)C(=O)OC(Br)(Br)c1ccc(Br)c(Br)c1Br

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
XBP1 P17861 1/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CA2 P00918 8/20 0.44
CA1 P00915 5/20 0.44
MAPK1 P28482 2/20 0.37
LMNA P02545 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP3A4 P08684 1/20 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
SCHEMBL16810209 0.70 CA2 (0.66) GAAXBP1ATMNPSR1L3MBTL1
Potassium SCHEMBL30493921 0.70 CA2 (0.66) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL525646 0.70 CA2 (0.66) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL29152457 0.69 CA2 (0.63) GAAXBP1ATMNPSR1L3MBTL1
O-Xylene SCHEMBL27721328 0.69 CA2 (0.50) GAAXBP1ATMNPSR1L3MBTL1
Bicarbonate SCHEMBL19836915 0.68 CA2 (0.61) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL2719220 0.68 CA2 (0.61) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL21142991 0.68 CA2 (0.67) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL27972934 0.68 CA2 (0.61) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL27702341 0.68 CA2 (0.49) GAAXBP1ATMNPSR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100448840-C Brominated esters, methods for their preparation and use thereof as flame retardants BROMINE COMPOUNDS LTD (IL) 2009-01-07 CN disclosed
CN-1646471-A Brominated esters, methods for their preparation and use thereof as flame retardants BROMINE COMPOUNDS LTD (IL) 2005-07-27 CN disclosed
US-20050124829-A1 Brominated esters, methods for their preparation and use thereof as flame retardants BROMINE COMPOUNDS LTD. (IL) 2005-06-09 US disclosed
EP-1478615-A1 BROMINATED ESTERS, METHODS FOR THEIR PREPARATION AND USE THEREOF AS FLAME RETARDANTS Bromine Compounds Ltd. (IL) 2004-11-24 EP disclosed
WO-2003070685-A1 BROMINATED ESTERS, METHODS FOR THEIR PREPARATION AND USE THEREOF AS FLAME RETARDANTS BROMINE COMPOUNDS LTD. (IL) 2003-08-28 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 (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-20050124829-A1 Brominated esters, methods for their preparation and use thereof as flame retardants CYP2F1, POLL, EBP GAA 3307/4885XBP1 713/4885ATM 4363/4885

“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.