SCHEMBL1333711

SCHEMBL1333711

CCOC(=O)c1ccnc(-c2cc(C(=O)OCC)ccn2)c1.CCOC(=O)c1ccnc(-c2cc(C(=O)OCC)ccn2)c1.Cl[Ru]Cl

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 13/20 0.68
PIK3CA P42336 1/20 0.54
KDM4E B2RXH2 1/20 0.53
KDM6B O15054 1/20 0.53
KDM5C P41229 1/20 0.53
KDM4C Q9H3R0 1/20 0.53
KDM2A Q9Y2K7 1/20 0.53
KDM3A Q9Y4C1 1/20 0.53
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL30171421 0.94 JMJD6 (0.76) JMJD6PIK3CAKDM4EKDM6BKDM5C
SCHEMBL811785 0.94 JMJD6 (0.76) JMJD6PIK3CAKDM4EKDM6BKDM5C
SCHEMBL19229661 0.88 JMJD6 (0.65) JMJD6PIK3CAKDM4EKDM6BKDM5C
SCHEMBL2688111 0.88 JMJD6 (0.68) JMJD6PIK3CAKDM4EKDM6BKDM5C
SCHEMBL28271627 0.88 KDM5C (0.69) JMJD6PIK3CAKDM4EKDM6BKDM5C
SCHEMBL18121145 0.88 JMJD6 (0.68) JMJD6PIK3CAKDM4EKDM6BKDM5C
SCHEMBL17518777 0.88 KDM4E (0.69) JMJD6PIK3CAKDM4EKDM6BKDM5C
SCHEMBL12893308 0.86 JMJD6 (0.67) JMJD6PIK3CAKDM4EKDM6BKDM5C
SCHEMBL2301563 0.85 JMJD6 (0.65) JMJD6PIK3CAKDM4EKDM6BKDM5C
SCHEMBL30614246 0.85 JMJD6 (0.65) JMJD6PIK3CAKDM4EKDM6BKDM5C

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-20110277841-A1 THIOCYANATE-FREE RU(II) SENSITIZERS AND DYE-SENSITIZED SOLAR CELLS NATIONAL TSING HUA UNIVERSITY (TW) 2011-11-17 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-20110277841-A1 THIOCYANATE-FREE RU(II) SENSITIZERS AND DYE-SENSITIZED SOLAR CELLS RUVBL2, TBL3, CCNE2 JMJD6 2690/4885PIK3CA 4592/4885KDM4E 3108/4885

“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.