SCHEMBL2484075

SCHEMBL2484075

C[C@]1(O[Si](C)(C)C)c2cc(Br)ccc2-c2ccc(Br)cc2[C@]1(C)O[Si](C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.37
AKR1A1 P14550 1/20 0.33
AKR1B1 P15121 1/20 0.33
S100A4 P26447 1/20 0.32
BACE1 P56817 3/20 0.32
CTSD P07339 1/20 0.32
HTR2B P41595 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
TDP2 O95551 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
MALT1 Q9UDY8 1/20 0.31
PGR P06401 1/20 0.31
PTGES O14684 1/20 0.30

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
SCHEMBL2484077 1.00 PDK2 (0.37) PDK2AKR1A1AKR1B1S100A4BACE1
SCHEMBL13995263 0.79 PDK2 (0.38) PDK2CA1CA2CA4CA7
SCHEMBL2487230 0.79 PDK2 (0.40) PDK2AKR1A1AKR1B1S100A4HTR2B
SCHEMBL2487352 0.79 PDK2 (0.40) PDK2AKR1A1AKR1B1S100A4HTR2B
SCHEMBL13995261 0.74 PDK2 (0.37) PDK2AKR1A1AKR1B1S100A4TDP2
SCHEMBL17430723 0.73 PDK2 (0.44) PDK2AKR1A1AKR1B1S100A4HTR2B
SCHEMBL29403081 0.73 PDK2 (0.44) PDK2AKR1A1AKR1B1S100A4HTR2B
SCHEMBL19116324 0.73 PDK2 (0.44) PDK2AKR1A1AKR1B1S100A4HTR2B
SCHEMBL29587737 0.73 PDK2 (0.44) PDK2AKR1A1AKR1B1S100A4HTR2B
SCHEMBL204806 0.73 PDK2 (0.44) PDK2AKR1A1AKR1B1S100A4HTR2B

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
EP-1717258-B1 DIHALIDE, POLYMER COMPOUND AND METHOD FOR PRODUCING SAME TOKYO INST TECH (JP) 2011-10-19 EP disclosed
US-7462683-B2 Dihalide, polymer compound and method for producing the same TOKYO INSTITUTE OF TECHNOLOGY (JP) 2008-12-09 US disclosed
US-20070185306-A1 Dihalide, polymer compound and method for producing the same TOKYO INSTITUTE OF TECHNOLOGY (JP) 2007-08-09 US disclosed
EP-1717258-A1 DIHALIDE, POLYMER COMPOUND AND METHOD FOR PRODUCING SAME Tokyo Institute of Technology (JP) 2006-11-02 EP 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-20070185306-A1 Dihalide, polymer compound and method for producing the same HSPA4L, HDHD5, MRPL21 PDK2 2058/4885AKR1A1 2065/4885AKR1B1 1804/4885

“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.