SCHEMBL2148528

SCHEMBL2148528

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.34
ALDH1A1 P00352 4/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
KDM4E B2RXH2 2/20 0.33
NPSR1 Q6W5P4 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP3 P42574 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
CYP2D6 P10635 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
CYP1A2 P05177 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
SCHEMBL2148158 0.89 ESR1 (0.32) ALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL2145720 0.86 KDM4E (0.37) NPC1RAB9AKDM4ESMN1; SMN2CYP1A2
SCHEMBL2146272 0.85 KDM4E (0.33) ALDH1A1NPC1RAB9AKDM4ENPSR1
SCHEMBL16524204 0.85 CYP1A2 (0.33) METAP2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL16524900 0.85 NPC1 (0.33) NPC1RAB9AMAPTSMN1; SMN2CYP1A2
SCHEMBL2146072 0.84 KDM4E (0.33) KDM4EGAA
SCHEMBL2146431 0.84
SCHEMBL2146275 0.82 KDM4E (0.32) KDM4EGAA
SCHEMBL14323553 0.81 KDM4E (0.36) KDM4EGAA
SCHEMBL2146268 0.81 KDM4E (0.34) KDM4ENPSR1MAPTGAA

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 METAP2 4581/4885ALDH1A1 2038/4885NPC1 3674/4885

“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.