SCHEMBL4652363

SCHEMBL4652363

CC[Si](C)(C1C=Cc2ccccc21)C1C=Cc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.37
HTR6 P50406 1/20 0.37
SIGMAR1 Q99720 6/20 0.35
KDM4E B2RXH2 2/20 0.34
RET P07949 2/20 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
CYP2D6 P10635 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
SCHEMBL9146450 0.98 HTR2A (0.36) HTR2AHTR6SIGMAR1KDM4ERET
SCHEMBL9141951 0.98 HTR2A (0.36) HTR2AHTR6SIGMAR1KDM4ERET
SCHEMBL7921707 0.87 HTR2A (0.38) HTR2AHTR6SIGMAR1KDM4ERET
SCHEMBL6675929 0.85 HTR2A (0.37) HTR2AHTR6SIGMAR1KDM4ERET
SCHEMBL6672892 0.83 HTR2A (0.38) HTR2AHTR6SIGMAR1KDM4ERET
SCHEMBL4653659 0.83 HTR2A (0.38) HTR2AHTR6SIGMAR1KDM4ERET
SCHEMBL4652448 0.83 HTR2A (0.38) HTR2AHTR6SIGMAR1KDM4ERET
SCHEMBL1028330 0.82 HTR2A (0.39) HTR2AHTR6SIGMAR1KDM4ERET
SCHEMBL4652449 0.82 HTR2A (0.39) HTR2AHTR6SIGMAR1KDM4ERET
Lithium SCHEMBL9145229 0.81 HTR2A (0.37) HTR2AHTR6SIGMAR1KDM4ERET

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 39 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
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-1500659-A1 Selective, catalytic, thermal functionalization of secondary or aromatic C-H bonds in cyclic hydrocarbons SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2005-01-26 EP disclosed
EP-1268490-B1 SELECTIVE, CATALYTIC, THERMAL FUNCTIONALIZATION OF SECONDARY OR AROMATIC C-H BONDS IN CYCLIC HYDROCARBONS SHELL INT RESEARCH (NL) 2005-01-26 EP disclosed
EP-1268490-A1 SELECTIVE, CATALYTIC, THERMAL FUNCTIONALIZATION OF SECONDARY OR AROMATIC C-H BONDS IN CYCLIC HYDROCARBONS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2003-01-02 EP disclosed
EP-0694563-B1 Olefin polymerization catalyst and process for preparing polyolefins NIPPON MITSUBISHI OIL CORP (JP) 2002-10-30 EP disclosed
US-20010039349-A1 Selective, Catalytic, thermal functionalization of secondary or aromatic C-H cyclic hydrocarbon bonds SHELL OIL COMPANY 2001-11-08 US disclosed
WO-2001064688-A1 SELECTIVE, CATALYTIC, THERMAL FUNCTIONALIZATION OF SECONDARY OR AROMATIC C-H CYCLIC HYDROCARBON BONDS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2001-09-07 WO disclosed
US-6111040-A Process for the production of olefinic polymers NIPPON MITSUBISHI OIL CORPORATION (JP) 2000-08-29 US disclosed
US-6077804-A Olefin polymerization catalyst and process for preparing polyolefins NIPPON OIL COMPANY, LIMITED (JP) 2000-06-20 US 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 1154/4885SIGMAR1 2994/4885

“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.