SCHEMBL20564401

SCHEMBL20564401

[CH2]C.[Li]C1C=Cc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.38
HTR6 P50406 1/20 0.37
KDM4E B2RXH2 2/20 0.34
CYP2D6 P10635 2/20 0.34
BRD4 O60885 1/20 0.34
CCL2 P13500 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CHRM2 P08172 1/20 0.34
CYP3A4 P08684 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
NFKB1 P19838 1/20 0.34
CHRM3 P20309 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34

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
SCHEMBL29357763 0.93 HTR2A (0.41) HTR2AHTR6KDM4ECYP2D6BRD4
SCHEMBL320554 0.93 HTR2A (0.41) HTR2AHTR6KDM4ECYP2D6BRD4
SCHEMBL31318310 0.71 ALDH1A1 (0.33) CYP3A4HSD17B10
Ethylene SCHEMBL61250 0.71 HTR2A (0.36) HTR2AHTR6KDM4ECYP2D6BRD4
SCHEMBL186865 0.70 HTR2A (0.41) HTR2AHTR6KDM4ECYP2D6BRD4
SCHEMBL186866 0.70 HTR2A (0.41) HTR2AHTR6KDM4ECYP2D6BRD4
SCHEMBL29531714 0.70 HTR2A (0.41) HTR2AHTR6KDM4ECYP2D6BRD4
SCHEMBL6763868 0.70 HTR2A (0.38) HTR2AHTR6KDM4ECYP2D6BRD4
SCHEMBL2136144 0.70 HTR2A (0.38) HTR2AHTR6KDM4ECYP2D6BRD4
SCHEMBL3685967 0.70 HTR2A (0.38) HTR2AHTR6KDM4ECYP2D6BRD4

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
US-11203609-B2 Metal complexes UNIVATION TECHNOLOGIES, LLC (US) 2021-12-21 US disclosed
EP-3625239-B1 A HAFNIUM COMPLEX; A SUPPORTED HAFNIUM COMPLEX; METHODS OF FORMING A POLYMER USING SUCH COMPLEXES UNIVATION TECH LLC (US) 2021-08-18 EP disclosed
US-20200190128-A1 METAL COMPLEXES UNIVATION TECHNOLOGIES, LLC (US) 2020-06-18 US disclosed
EP-3625239-A1 A HAFNIUM COMPLEX; A SUPPORTED HAFNIUM COMPLEX; METHODS OF FORMING A POLYMER USING SUCH COMPLEXES Univation Technologies, LLC (US) 2020-03-25 EP disclosed
WO-2018213395-A1 A HAFNIUM COMPLEX; A SUPPORTED HAFNIUM COMPLEX; METHODS OF FORMING A POLYMER USING SUCH COMPLEXES UNIVATION TECHNOLOGIES, LLC (US) 2018-11-22 WO 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 (2 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-11203609-B2 Metal complexes DNMT1, AP1M1, DNMT3A HTR2A 3287/4885HTR6 2872/4885KDM4E 943/4885
US-20200190128-A1 METAL COMPLEXES DNMT1, AP1M1, DNMT3A HTR2A 3287/4885HTR6 2872/4885KDM4E 943/4885

“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.