SCHEMBL6360932

SCHEMBL6360932

CCCCC(CC)C(=O)OC(Br)c1cc(Br)c(Br)c(Br)c1Br

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.44
CA1 P00915 5/20 0.44
GAA P10253 1/20 0.39
XBP1 P17861 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 2/20 0.37
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
PRKCA P17252 1/20 0.33
PRKCD Q05655 1/20 0.33
ESR1 P03372 1/20 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
SCHEMBL4599522 0.73 CYP3A4 (0.37) CA2ATML3MBTL1MAPK1ALDH1A1
SCHEMBL6249435 0.69 CA2 (0.63) CA2CA1GAAXBP1ATM
SCHEMBL6360927 0.69 CA2 (0.54) CA2CA1GAAXBP1ATM
SCHEMBL2728830 0.68 ALDH1A1 (0.63) CA2ATML3MBTL1MAPK1ALDH1A1
SCHEMBL332832 0.67 CA2 (0.66) CA2CA1GAAXBP1ATM
SCHEMBL11463252 0.67 CA2 (0.66) CA2CA1GAAXBP1ATM
SCHEMBL9416552 0.67 EIF2AK2 (0.35)
SCHEMBL26688534 0.67 CA2 (0.70) CA2CA1GAAXBP1ATM
SCHEMBL6360929 0.67 GAA (0.47) CA2CA1GAAXBP1ATM
SCHEMBL23581684 0.66 CA2 (0.63) CA2CA1GAAXBP1ATM

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 CA2 2437/4885CA1 2217/4885GAA 3307/4885

“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.