SCHEMBL6360927

SCHEMBL6360927

CCCCC(CC)C(=O)OCc1c(Br)c(Br)c(Br)c(Br)c1Br

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.54
CA1 P00915 4/20 0.54
MAPK1 P28482 2/20 0.46
ATM Q13315 2/20 0.40
GAA P10253 1/20 0.40
XBP1 P17861 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL17471992 0.77 CA2 (0.58) CA2CA1MAPK1ATMGAA
SCHEMBL17617151 0.75 CA2 (0.70) CA2CA1MAPK1ATMGAA
SCHEMBL154056 0.75 CA2 (0.70) CA2CA1MAPK1ATMGAA
SCHEMBL17617127 0.75 CA2 (0.70) CA2CA1MAPK1ATMGAA
SCHEMBL332831 0.75 CA2 (0.70) CA2CA1MAPK1ATMGAA
SCHEMBL2405187 0.75 CA2 (0.70) CA2CA1MAPK1ATMGAA
SCHEMBL17938476 0.74 CA2 (0.54) CA2CA1MAPK1ATMGAA
SCHEMBL1477902 0.73 CA2 (0.68) CA2CA1MAPK1ATMGAA
SCHEMBL1421638 0.73 CA2 (0.68) CA2CA1MAPK1ATMGAA
SCHEMBL333259 0.73 CA2 (0.68) CA2CA1MAPK1ATMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2217/4885MAPK1 3639/4885

“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.