SCHEMBL2145688

SCHEMBL2145688

c1ccc(P(Cc2ccccc2CP(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c2ccccn2)nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
P2RX7 Q99572 2/20 0.34
HSD11B1 P28845 3/20 0.34
RAB9A P51151 3/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33
EPHX2 P34913 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
AGTR1 P30556 1/20 0.33
OPRK1 P41145 1/20 0.33
RECQL P46063 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
GAA P10253 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32

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
SCHEMBL2145824 0.88 HSD11B1 (0.34) KDM4EALDH1A1P2RX7HSD11B1RAB9A
SCHEMBL2146007 0.87 CNR2 (0.32) KDM4EALDH1A1TSHRMAPK1NPSR1
SCHEMBL16525076 0.87 PABPC1 (0.33) P2RX7HSD11B1TSHRSMN1; SMN2OPRK1
SCHEMBL2145856 0.87 ALDH1A1 (0.33) KDM4EALDH1A1P2RX7HSD11B1TSHR
SCHEMBL2145726 0.86 HSD11B1 (0.34) HSD11B1
SCHEMBL16524441 0.86 RAB9A (0.34) KDM4EALDH1A1P2RX7HSD11B1RAB9A
SCHEMBL2145851 0.86 HSD11B1 (0.31) KDM4EALDH1A1P2RX7HSD11B1RAB9A
SCHEMBL2146144 0.85 GRIN2B (0.31)
SCHEMBL2145733 0.84
SCHEMBL16525330 0.84 HSD11B1 (0.32) KDM4EALDH1A1P2RX7HSD11B1RAB9A

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 KDM4E 1939/4885ALDH1A1 2038/4885P2RX7 465/4885

“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.