SCHEMBL4398162

SCHEMBL4398162

C1=CC([Gd]C2C=Cc3ccccc32)c2ccccc21.CN(C)[Si](C)=O.CN(C)[Si](C)=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.34
HTR2A P28223 2/20 0.33
KDM4E B2RXH2 2/20 0.31
BRD4 O60885 1/20 0.31
CCL2 P13500 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CHRM2 P08172 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
NFKB1 P19838 1/20 0.31
CHRM3 P20309 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 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
SCHEMBL4473142 0.82 HTR2A (0.40) RETHTR2AKDM4EBRD4CCL2
SCHEMBL4384672 0.77 RET (0.34) RETHTR2AKDM4EBRD4CCL2
SCHEMBL6337587 0.67 HTR2A (0.42) RETHTR2AKDM4EBRD4CCL2
SCHEMBL7937440 0.64 HTR2A (0.42) RETHTR2AKDM4EBRD4CCL2
SCHEMBL4472241 0.64 HTR2A (0.31) RETHTR2AHRH1
SCHEMBL8147058 0.63 HTR2A (0.38) RETHTR2AKDM4EBRD4CCL2
SCHEMBL28249192 0.62 HTR2A (0.41) RETHTR2AKDM4EBRD4CCL2
Fluoride SCHEMBL3384859 0.62 HTR2A (0.36) RETHTR2AKDM4EBRD4CCL2
SCHEMBL797213 0.61 HTR2A (0.36) RETHTR2AKDM4EBRD4CCL2
SCHEMBL186866 0.60 HTR2A (0.41) RETHTR2AKDM4EBRD4CCL2

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-2017280-B1 METALLOCENE COMPLEX AND POLYMERIZATION CATALYST COMPOSITION CONTAINING THE SAME RIKEN (JP) 2015-01-07 EP disclosed
US-8653290-B2 Metallocene complex and polymerization catalyst composition containing the same RIKEN (JP) 2014-02-18 US disclosed
US-20090264604-A1 Metallocene Complex and Polymerization Catalyst Composition Containing the Same RIKEN (JP) 2009-10-22 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-20090264604-A1 Metallocene Complex and Polymerization Catalyst Composition Containing the Same RTF1, POLR1A, POLR1G RET 3554/4885HTR2A 4563/4885KDM4E 2126/4885

“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.