SCHEMBL1948544

SCHEMBL1948544

CC(C)P(Cc1ccccc1CP(C(C)(C)C)C(C)(C)C)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.32
SLC6A3 Q01959 2/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
CACNA1F O60840 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
ADRA2B P18089 1/20 0.31
CHRM3 P20309 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
OPRK1 P41145 1/20 0.31
CACNA1D Q01668 1/20 0.31
KCNH2 Q12809 1/20 0.31
CACNA1S Q13698 1/20 0.31
CACNA1C Q13936 1/20 0.31
SCN5A Q14524 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
SCHEMBL34189 0.85 GABRA1 (0.33) RIPK1SLC6A2
SCHEMBL29381329 0.85 GABRA1 (0.33) RIPK1SLC6A2
SCHEMBL3630782 0.85 GABRA1 (0.34) RIPK1SLC6A3SLC6A2SLC6A4
SCHEMBL4444608 0.83 BCHE (0.32) RIPK1SLC6A2
SCHEMBL4449614 0.81 RIPK1 (0.34) RIPK1SLC6A2
SCHEMBL17750351 0.78 GABRA1 (0.43) SLC6A2SLC6A4
SCHEMBL30872867 0.78 PNMT (0.32)
SCHEMBL18417623 0.76
SCHEMBL20732795 0.74 RIPK1 (0.33) RIPK1
SCHEMBL3680536 0.74 TAAR1 (0.43) CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297170-B1 PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS, NOVEL CARBONYLATION LIGANDS AND CATALYST SYSTEMS INCORPORATING SUCH LIGANDS LUCITE INT UK LTD (GB) 2015-09-09 EP disclosed
US-8816113-B2 Process for the carbonylation of ethylenically unsaturated compounds, novel carbonylation ligands and catalyst systems incorporating such ligands LUCITE INTERNATIONAL UK LIMITED (GB) 2014-08-26 US disclosed
US-20110137059-A1 PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS, NOVEL CARBONYLATION LIGANDS AND CATALYST SYSTEMS INCORPORATING SUCH LIGANDS LUCITE INTERNATIONAL UK LIMITED (GB) 2011-06-09 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-20110137059-A1 PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS, NOVEL CARBONYLATION LIGANDS AND CATALYST SYSTEMS INCORPORATING SUCH LIGANDS CBR3, CBR1, XDH RIPK1 3144/4885SLC6A3 4506/4885SLC6A2 4756/4885

“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.