SCHEMBL518474

SCHEMBL518474

CCCCOP(=O)(OCCCC)C(Br)(Br)c1ccc(Br)c(Br)c1Br

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.35
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TSHR P16473 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 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
SCHEMBL517581 0.84 POLB (0.33) GAACA12CA1CA2TSHR
SCHEMBL517591 0.84 GAA (0.34) CYP3A4GAA
SCHEMBL517977 0.82 CYP3A4 (0.33) CYP3A4GAA
SCHEMBL517592 0.74 GAA (0.38) CYP3A4GAA
SCHEMBL517978 0.74 GAA (0.43) CYP3A4GAA
SCHEMBL2872953 0.69 GAA (0.37) CYP3A4GAA
SCHEMBL518053 0.69 POLB (0.34) GAATSHR
SCHEMBL2877635 0.66 MEN1 (0.33) CYP3A4GAA
SCHEMBL9685182 0.65 CYP1A2 (0.44) GAACA12CA1CA2TSHR
SCHEMBL13337684 0.64 CYP3A4 (0.44) CYP3A4

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 4 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 claimed
WO-2010046898-A1 A PROCESS FOR THE PREPARATION OF HALOGENATED ARYL PHOSPHONATES BROMINE COMPOUNDS LTD. (IL) 2010-04-29 WO claimed
US-20120029224-A1 PROCESS FOR THE PREPARATION OF HALOGENATED ARYL PHOSPHONATES BROMINE COMPOUNDS LTD. (IL) 2012-02-02 US 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 CYP3A4 1150/4885GAA 4294/4885CA12 4169/4885

“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.