SCHEMBL2484540

SCHEMBL2484540

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.50
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
AKR1B1 P15121 2/20 0.40
TDP2 O95551 1/20 0.40
AKR1A1 P14550 1/20 0.40
LMNA P02545 2/20 0.39
S100A4 P26447 1/20 0.38
PGR P06401 3/20 0.37
BCL2 P10415 1/20 0.36
MCL1 Q07820 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL1891712 1.00 PDK2 (0.50) PDK2CA1CA2CA4CA7
SCHEMBL19757718 0.90 PDK2 (0.60) PDK2CA1CA2CA4CA7
SCHEMBL9999602 0.86 PDK2 (0.50) PDK2CA1CA2CA4CA7
SCHEMBL26922681 0.84 PDK2 (0.40) PDK2CA1CA2CA4CA7
SCHEMBL30674017 0.84 PDK2 (0.40) PDK2CA1CA2CA4CA7
SCHEMBL3742800 0.82 CA1 (0.45) PDK2CA1CA2CA4CA7
SCHEMBL19116324 0.81 PDK2 (0.44) PDK2CA1CA2CA4CA7
SCHEMBL204806 0.81 PDK2 (0.44) PDK2CA1CA2CA4CA7
SCHEMBL29403081 0.81 PDK2 (0.44) PDK2CA1CA2CA4CA7
SCHEMBL17430723 0.81 PDK2 (0.44) PDK2CA1CA2CA4CA7

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 2058/4885CA1 2121/4885CA2 3291/4885

“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.