SCHEMBL4969064

SCHEMBL4969064

CC(C)N/C=C/NC(C)C.[LiH]

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.47
ADH1C P00326 1/20 0.47
ADH1A P07327 1/20 0.47
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL4969067 1.00 ADH1B (0.47) ADH1BADH1CADH1ATDP1
SCHEMBL4968115 0.96 ADH1B (0.50) ADH1BADH1CADH1ATDP1
SCHEMBL4968122 0.96 ADH1B (0.50) ADH1BADH1CADH1ATDP1
SCHEMBL14111097 0.96 ADH1B (0.50) ADH1BADH1CADH1ATDP1
SCHEMBL24193633 0.82
SCHEMBL19964832 0.82
SCHEMBL6707616 0.77
SCHEMBL13202202 0.77
SCHEMBL14006345 0.77
SCHEMBL16257954 0.74

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-20130052349-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 ADH1B 981/4885ADH1C 2905/4885ADH1A 1226/4885
US-20130052349-A1 ORGANOMETALLIC COMPOUNDS NR1H3, NR1H2, NR1I3 ADH1B 981/4885ADH1C 2905/4885ADH1A 1226/4885
US-20130047890-A1 ORGANOMETALLIC COMPOUNDS NR1H3, NR1H2, NR1I3 ADH1B 981/4885ADH1C 2905/4885ADH1A 1226/4885

“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.