SCHEMBL10126524

SCHEMBL10126524

Cc1ccc2c(c1)C(NCCCBr)(NCCCBr)c1cc(C)c3ccccc3c1-2

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 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
SCHEMBL10126486 0.82 PDK2 (0.34) PDK2
SCHEMBL13776924 0.71 PDK2 (0.38) PDK2
SCHEMBL10111191 0.70 PDK2 (0.36) PDK2
SCHEMBL10126527 0.69 BCHE (0.36)
SCHEMBL13776941 0.68 MMP2 (0.33) PDK2
SCHEMBL11940288 0.67 PDK2 (0.38) PDK2
SCHEMBL12396810 0.65 OPRM1 (0.45) PDK2
SCHEMBL10126526 0.65 MAPT (0.30)
SCHEMBL13558610 0.64 MMP2 (0.30) PDK2
SCHEMBL13558611 0.64 MMP2 (0.30) PDK2

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-20120032121-A1 METALLIC COMPOSITE AND COMPOSITION THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-09 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-20120032121-A1 METALLIC COMPOSITE AND COMPOSITION THEREOF CDH1, EPCAM, CD4 PDK2 4282/4885

“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.