SCHEMBL3682813

SCHEMBL3682813

Cc1cc(C)c([N+]2(c3c(C)cc(C)cc3C)CCNC2=[Ru](Cl)(Cl)=Cc2ccccc2OC(C)C)c(C)c1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.31
ADRA2B P18089 2/20 0.31
ADRA2C P18825 2/20 0.31
NISCH Q9Y2I1 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL135939 0.71 MAPT (0.32)
SCHEMBL29365624 0.71 MAPT (0.32)
Hydrochloric Acid SCHEMBL2833170 0.70 MAPT (0.32)
SCHEMBL29618000 0.66 MAPT (0.32) MEN1KMT2A
SCHEMBL34469514 0.65 ADRA1D (0.34)
SCHEMBL2587303 0.65 ADRA1D (0.34)
SCHEMBL3443411 0.65 MAPT (0.32) MEN1KMT2A
SCHEMBL30084634 0.64 ALDH1A1 (0.36) ADRA2AADRA2BADRA2CNISCHMEN1
SCHEMBL23781928 0.64 PLIN1 (0.32) MEN1KMT2A
SCHEMBL30528337 0.63 ADRA1D (0.34) MEN1KMT2A

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-20100305354-A1 METHOD FOR THE SYNTHESIS OF DIACIDS OR DIESTERS FROM NATURAL FATTY ACIDS AND/OR ESTERS ARKEMA FRANCE (FR) 2010-12-02 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-20100305354-A1 METHOD FOR THE SYNTHESIS OF DIACIDS OR DIESTERS FROM NATURAL FATTY ACIDS AND/OR ESTERS FAR1, FADS1, FASN ADRA2A 1460/4885ADRA2B 2188/4885ADRA2C 749/4885

“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.