SCHEMBL3404077

SCHEMBL3404077

C[SiH](C)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
Lithium SCHEMBL9141902 0.98 HTR2A (0.36) HTR2AHTR6KDM4ECYP2D6BRD4
SCHEMBL9148577 0.98 HTR2A (0.36) HTR2AHTR6KDM4ECYP2D6BRD4
SCHEMBL9141896 0.98 HTR2A (0.36) HTR2AHTR6KDM4ECYP2D6BRD4
SCHEMBL9148580 0.98 HTR2A (0.36) HTR2AHTR6KDM4ECYP2D6BRD4
Hydrochloric Acid SCHEMBL4740946 0.88 HTR6 (0.31) HTR2AHTR6SIGMAR1
SCHEMBL4652559 0.87 HTR2A (0.38) HTR2AHTR6KDM4ECYP2D6BRD4
SCHEMBL9143386 0.85 HTR2A (0.36) HTR2AHTR6KDM4ECYP2D6BRD4
Lithium SCHEMBL9143944 0.85 HTR2A (0.36) HTR2AHTR6KDM4ECYP2D6BRD4
Lithium SCHEMBL8578281 0.85 HTR2A (0.36) HTR2AHTR6KDM4ECYP2D6BRD4
SCHEMBL9143390 0.85 HTR2A (0.36) 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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010039349-A1 Selective, Catalytic, thermal functionalization of secondary or aromatic C-H cyclic hydrocarbon bonds SHELL OIL COMPANY 2001-11-08 US claimed
CN-111406078-B Catalyst for preparing polyethylene with broad bimodal molecular weight distribution 埃克森美孚化学专利公司 2023-03-10 CN disclosed
CN-111417657-B Asymmetric ansa-metallocene catalyst compounds for the preparation of polyolefins having broad molecular weight distribution 埃克森美孚化学专利公司 2022-11-25 CN disclosed
CN-110650965-B Dihydrocarbyl-silyl-bridged-1,3 disubstituted-2-indenyl metallocene complexes for olefin polymerization SABIC环球技术有限责任公司 2022-10-04 CN disclosed
CN-111417657-A Asymmetric ansa-metallocene catalyst compounds for the preparation of polyolefins having broad molecular weight distribution 埃克森美孚化学专利公司 2020-07-14 CN disclosed
CN-111406078-A Catalyst for preparing polyethylene with broad bimodal molecular weight distribution 埃克森美孚化学专利公司 2020-07-10 CN disclosed
CN-110650965-A Dihydrocarbyl-silyl-bridged-1, 3 disubstituted-2-indenyl metallocene complexes for olefin polymerization SABIC环球技术有限责任公司 2020-01-03 CN disclosed
EP-2235071-A2 METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO AND COPOLYMERS Novolen Technology Holdings, C.V. (NL) 2010-10-06 EP disclosed
WO-2009054833-A2 METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO AND COPOLYMERS NOVOLEN TECHNOLOGY HOLDINGS, C.V. (NL) 2009-04-30 WO disclosed
EP-1500659-B1 Selective, catalytic, thermal functionalization of secondary or aromatic C-H bonds in cyclic hydrocarbons SHELL INT RESEARCH (NL) 2008-09-24 EP disclosed
EP-0520816-B1 Catalyst components for polymerization of olefins NIPPON OIL CO LTD (JP) 1995-12-13 EP disclosed
EP-0679662-A1 Catalyst component for the polymerization of olefins NIPPON OIL CO. LTD. (JP) 1995-11-02 EP disclosed
US-5451555-A Catalyst components for polymerization of olefins NIPPON OIL CO., LTD. (JP) 1995-09-19 US disclosed
EP-0669346-A1 Solid catalyst components for olefin polymerization and use thereof NIPPON OIL CO. LTD. (JP) 1995-08-30 EP disclosed
US-5387567-A An additional polymerization catalysts consisting of a metal compounds selected from zirconium, titanium, hafnium and organosilane compound; molecular weight controller for broad molecular weight distribution NIPPON OIL CO., LTD. (JP) 1995-02-07 US disclosed
US-5331071-A Transition metal and alumoxane components NIPPON OIL CO., LTD. (JP) 1994-07-19 US disclosed
EP-0587440-A2 Catalyst component for the polymerisation of olefins and process for preparing olefin polymers using same NIPPON OIL COMPANY, LIMITED (JP) 1994-03-16 EP disclosed
EP-0569249-A2 Ethylene/alpha-olefin copolymers NIPPON OIL COMPANY, LIMITED (JP) 1993-11-10 EP disclosed
EP-0520811-A2 Catalyst components for polymerization of olefins NIPPON OIL CO. LTD. (JP) 1992-12-30 EP disclosed
EP-0520816-A2 Catalyst components for polymerization of olefins NIPPON OIL CO. LTD. (JP) 1992-12-30 EP 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-20010039349-A1 Selective, Catalytic, thermal functionalization of secondary or aromatic C-H cyclic hydrocarbon bonds AHR, PAH, HRH3 HTR2A 1242/4885HTR6 1154/4885KDM4E 2533/4885

“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.