SCHEMBL517781

SCHEMBL517781

CCOP(=O)(OCC)C(Br)c1ccc(C(Br)(Br)P(=O)(OCC)OCC)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
GAA P10253 4/20 0.38
LMNA P02545 4/20 0.36
NPSR1 Q6W5P4 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA9 Q16790 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
HMGCR P04035 2/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL517978 0.85 GAA (0.43) GAAMEN1KMT2AALDH1A1
SCHEMBL11673488 0.80 ALOX15 (0.31)
SCHEMBL518054 0.74 POLB (0.38) POLBGAALMNANPSR1MEN1
SCHEMBL517581 0.71 POLB (0.33) POLBGAALMNANPSR1KMT2A
SCHEMBL11316425 0.69 CA12 (0.48) POLBGAALMNANPSR1MEN1
SCHEMBL11143647 0.69 POLB (0.64) POLBGAALMNANPSR1MEN1
SCHEMBL518217 0.68 POLB (0.44) POLBGAALMNANPSR1MEN1
SCHEMBL5394331 0.68 GAA (0.38) POLBGAALMNANPSR1MEN1
SCHEMBL7187493 0.68 PTPN1 (0.37) POLBGAALMNANPSR1MEN1
SCHEMBL21722914 0.68 NPSR1 (0.56) POLBGAALMNANPSR1MEN1

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 1 patent. 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

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 POLB 1353/4885GAA 4294/4885LMNA 1460/4885

“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.