SCHEMBL4966261

SCHEMBL4966261

N[Si](c1ccc[nH]1)(c1ccc[nH]1)c1ccc[nH]1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
INCENP Q9NQS7 1/20 0.37
DAO P14920 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
FKBP5 Q13451 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
SCHEMBL1375632 0.77 DAO (0.35) AURKAAURKBINCENPDAOHDAC8
SCHEMBL3796424 0.72
SCHEMBL28399974 0.72 DAO (0.32) AURKAAURKBINCENPDAOHDAC8
SCHEMBL2180074 0.72
SCHEMBL7169327 0.69 TAAR1 (0.32) AURKAAURKBINCENPDAOHDAC8
SCHEMBL31568743 0.67 ESR1 (0.33)
SCHEMBL5701122 0.65 NR1H2 (0.31)
SCHEMBL31722380 0.65 HDAC8 (0.32) HDAC8HDAC6
SCHEMBL31722305 0.65
SCHEMBL19973316 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130047890-A1 ORGANOMETALLIC COMPOUNDS PRAXAIR TECHNOLOGY, INC. 2013-02-28 US claimed
WO-2008002415-A2 PRECURSORS FOR DEPOSITING SILICON CONTAINING FILMS AND PROCESSES THEREOF PRAXAIR TECHNOLOGY, INC. (US) 2008-01-03 WO claimed
US-20070299274-A1 Organometallic compounds PRAXAIR TECHNOLOGY, INC. 2007-12-27 US claimed
US-20130052349-A1 ORGANOMETALLIC COMPOUNDS PRAXAIR TECHNOLOGY, INC. 2013-02-28 US disclosed
US-20130047890-A1 ORGANOMETALLIC COMPOUNDS PRAXAIR TECHNOLOGY, INC. 2013-02-28 US disclosed
US-8318966-B2 Organometallic compounds PRAXAIR TECHNOLOGY, INC. (US) 2012-11-27 US disclosed
WO-2008002415-A2 PRECURSORS FOR DEPOSITING SILICON CONTAINING FILMS AND PROCESSES THEREOF PRAXAIR TECHNOLOGY, INC. (US) 2008-01-03 WO disclosed
US-20070299274-A1 Organometallic compounds PRAXAIR TECHNOLOGY, INC. 2007-12-27 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 (3 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-20070299274-A1 Organometallic compounds NR1H3, NR1H2, NR1I3 AURKA 3160/4885AURKB 3731/4885INCENP 4023/4885
US-20130052349-A1 ORGANOMETALLIC COMPOUNDS NR1H3, NR1H2, NR1I3 AURKA 3160/4885AURKB 3731/4885INCENP 4023/4885
US-20130047890-A1 ORGANOMETALLIC COMPOUNDS NR1H3, NR1H2, NR1I3 AURKA 3160/4885AURKB 3731/4885INCENP 4023/4885

“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.