SCHEMBL517592

SCHEMBL517592

CCCCOP(=O)(OCCCC)C(Br)c1cccc(C(Br)(Br)P(=O)(OCCCC)OCCCC)c1Br

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP3A4 P08684 1/20 0.31

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
SCHEMBL2877635 0.79 MEN1 (0.33) GAAMEN1ALDH1A1LMNAKMT2A
SCHEMBL517978 0.76 GAA (0.43) GAAMEN1ALDH1A1KMT2ACYP3A4
SCHEMBL11673962 0.76
SCHEMBL518474 0.74 CYP3A4 (0.38) GAACYP3A4
SCHEMBL517977 0.69 CYP3A4 (0.33) GAACYP3A4
SCHEMBL517591 0.68 GAA (0.34) GAACYP3A4
SCHEMBL2872953 0.62 GAA (0.37) GAAMEN1ALDH1A1KMT2ACYP3A4
SCHEMBL518217 0.62 POLB (0.44) GAAMEN1ALDH1A1LMNAKMT2A
SCHEMBL13337684 0.60 CYP3A4 (0.44) MEN1KMT2ACYP3A4
SCHEMBL517581 0.59 POLB (0.33) GAALMNAKMT2ANPSR1

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-20120029224-A1 PROCESS FOR THE PREPARATION OF HALOGENATED ARYL PHOSPHONATES BROMINE COMPOUNDS LTD. (IL) 2012-02-02 US disclosed
WO-2010046899-A2 IMPROVED FLAME RETARDATION OF TEXTILES BY HALOGENATED ARYL PHOSPHONATES BROMINE COMPOUNDS LTD. (IL) 2010-04-29 WO disclosed
WO-2010046898-A1 A PROCESS FOR THE PREPARATION OF HALOGENATED ARYL PHOSPHONATES BROMINE COMPOUNDS LTD. (IL) 2010-04-29 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-20120029224-A1 PROCESS FOR THE PREPARATION OF HALOGENATED ARYL PHOSPHONATES PIK3CA, PIP5K1B, PIP5K1C GAA 4294/4885MEN1 1600/4885ALDH1A1 2143/4885

“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.