SCHEMBL2146007

SCHEMBL2146007

c1ccc(-c2ccc(CP(C34CC5CC(CC(C5)C3)C4)C34CC5CC(CC(C5)C3)C4)c(CP(c3ccccn3)c3ccccn3)c2)cc1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.32
CNR1 P21554 4/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPSR1 Q6W5P4 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL16524785 0.89 CNR2 (0.33) CNR2CNR1
SCHEMBL16524973 0.89 CNR2 (0.33) CNR2CNR1ALDH1A1KDM4ETSHR
SCHEMBL2145856 0.89 ALDH1A1 (0.33) ALDH1A1KDM4ENPSR1TSHRMAPK1
SCHEMBL2145688 0.87 KDM4E (0.35) ALDH1A1KDM4ENPSR1TSHRMAPK1
SCHEMBL3007963 0.86 CNR2 (0.39) CNR2CNR1ALDH1A1
SCHEMBL2145726 0.84 HSD11B1 (0.34)
SCHEMBL2146254 0.83 KDM4E (0.30) ALDH1A1KDM4E
SCHEMBL2145824 0.83 HSD11B1 (0.34) ALDH1A1KDM4ETSHRMAPK1SMN1; SMN2
SCHEMBL2146144 0.83 GRIN2B (0.31)
SCHEMBL16525163 0.82 CNR1 (0.31) CNR2CNR1ALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2521616-B1 PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS, NOVEL CARBONYLATION LIGANDS AND CATALYST SYSTEMS INCORPORATING SUCH LIGANDS LUCITE INT UK LTD (GB) 2017-02-08 EP claimed
US-8969560-B2 Process for the carbonylation of ethylenically unsaturated compounds, novel carbonylation ligands and catalyst systems incorporating such ligands LUCITE INTERNATIONAL UK LIMITED (GB) 2015-03-03 US claimed
US-20120330016-A1 PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS, NOVEL CARBONYLATION LIGANDS AND CATALYST SYSTEMS INCORPORATING SUCH LIGANDS LUCITE INTERNATIONAL UK LIMITED (GB) 2012-12-27 US claimed
EP-2521616-A1 PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS, NOVEL CARBONYLATION LIGANDS AND CATALYST SYSTEMS INCORPORATING SUCH LIGANDS Lucite International UK Limited (GB) 2012-11-14 EP claimed
WO-2011083305-A1 PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS, NOVEL CARBONYLATION LIGANDS AND CATALYST SYSTEMS INCORPORATING SUCH LIGANDS LUCITE INTERNATIONAL UK LIMITED (GB) 2011-07-14 WO claimed

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-20120330016-A1 PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS, NOVEL CARBONYLATION LIGANDS AND CATALYST SYSTEMS INCORPORATING SUCH LIGANDS GRB2, CDK2, PDK1 CNR2 711/4885CNR1 717/4885ALDH1A1 2038/4885

“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.