SCHEMBL636437

SCHEMBL636437

CCc1cc(P(c2cc(CC)c(N(C)C)c(CC)c2)c2ccc3ccccc3c2-c2c(P(c3cc(CC)c(N(C)C)c(CC)c3)c3cc(CC)c(N(C)C)c(CC)c3)ccc3ccccc23)cc(CC)c1N(C)C.CN(C)C(=O)[Ru](Cl)Cl

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 6/20 0.34
LMNA P02545 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL636039 0.88 NCEH1 (0.33) NCEH1LMNAALDH1A1HPGD
SCHEMBL635100 0.88 ATM (0.35) NCEH1KDM4EALDH1A1HPGD
SCHEMBL635386 0.83 WDR5 (0.38) NCEH1LMNAKDM4EALDH1A1HPGD
SCHEMBL635117 0.81 MAPT (0.39) NCEH1LMNAKDM4EALDH1A1HPGD
SCHEMBL636417 0.81 NPC1 (0.41) NCEH1LMNAALDH1A1HPGD
SCHEMBL635987 0.73 CYP2A6 (0.37) NCEH1KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL635451 0.71 CYP1A2 (0.33) ALDH1A1HPGD
SCHEMBL636477 0.71 CYP1A2 (0.33) ALDH1A1HPGD
SCHEMBL30894426 0.71 GPR84 (0.32) KDM4EALDH1A1
SCHEMBL637001 0.70 NCEH1 (0.34) NCEH1LMNA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8981147-B2 Diphosphine ligand and transition metal complex using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-17 US disclosed
US-20140171655-A1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-06-19 US disclosed
EP-1927596-B9 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME TAKEDA PHARMACEUTICAL (JP) 2013-05-15 EP disclosed
EP-1927596-B1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME TAKEDA PHARMACEUTICAL (JP) 2012-08-01 EP disclosed
EP-2420507-A1 Diphosphine ligand and transition metal complex using the same Takeda Pharmaceutical Company Limited (JP) 2012-02-22 EP disclosed
US-20090270635-A1 Diphosphine Ligand and Transition Metal Complex Using the Same TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-10-29 US disclosed
EP-1927596-A1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME Takeda Pharmaceutical Company Limited (JP) 2008-06-04 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 (2 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-20090270635-A1 Diphosphine Ligand and Transition Metal Complex Using the Same MVD, C5, C1S NCEH1 3673/4885LMNA 4816/4885KDM4E 1232/4885
US-20140171655-A1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME MVD, C5, C1S NCEH1 3673/4885LMNA 4816/4885KDM4E 1232/4885

“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.