SCHEMBL2148158

SCHEMBL2148158

CC(C)(c1ccccc1)c1ccc(CP(C(C)(C)C)C(C)(C)C)c(CP(c2ccccn2)c2ccccn2)c1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
NR3C2 P08235 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
SCHEMBL2148528 0.89 METAP2 (0.34) ALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL16525162 0.88 ALDH1A1 (0.31) ESR1ESR2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL14323553 0.88 KDM4E (0.36) KDM4EGAA
SCHEMBL16525160 0.88 ESR1 (0.33) ESR1ESR2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL2999969 0.84 ESR1 (0.43) ESR1ESR2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL2145720 0.83 KDM4E (0.37) SMN1; SMN2KDM4EGAA
SCHEMBL2146072 0.83 KDM4E (0.33) KDM4EGAA
SCHEMBL2146254 0.81 KDM4E (0.30) ALDH1A1KDM4E
SCHEMBL2146431 0.81
SCHEMBL16524793 0.81 ALOX5AP (0.32) ESR1ESR2ALDH1A1CYP3A4

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 ESR1 21/4885ESR2 76/4885ALDH1A1 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.