SCHEMBL4653689

SCHEMBL4653689

C1=CC([Si](c2ccccc2)(c2ccccc2)C2C=Cc3ccccc32)c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.35
HTR6 P50406 1/20 0.35
SIGMAR1 Q99720 6/20 0.33

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
SCHEMBL31124933 1.00 HTR2A (0.35) HTR2AHTR6SIGMAR1
SCHEMBL9144790 0.98 HTR2A (0.34) HTR2AHTR6SIGMAR1
SCHEMBL9148188 0.98 HTR2A (0.34) HTR2AHTR6SIGMAR1
Lithium SCHEMBL9144798 0.98 HTR2A (0.34) HTR2AHTR6SIGMAR1
SCHEMBL9148196 0.98 HTR2A (0.34) HTR2AHTR6SIGMAR1
SCHEMBL8370626 0.87 HTR6 (0.33) HTR2AHTR6SIGMAR1
SCHEMBL8370738 0.84 HTR2A (0.35) HTR2AHTR6SIGMAR1
SCHEMBL8371627 0.84 HTR2A (0.35) HTR2AHTR6SIGMAR1
SCHEMBL10319976 0.81 SIGMAR1 (0.34) HTR2AHTR6SIGMAR1
SCHEMBL8369966 0.81 HTR6 (0.33) HTR2AHTR6SIGMAR1

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
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
US-6984743-B1 Method for producing metallocenes BASELL POLYOLEFINE GMBH (DE) 2006-01-10 US 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-0963990-B1 PROCESS FOR PRODUCING CYCLOPENTADIENYL METAL SALTS AND PROCESS FOR PRODUCING CYCLOPENTADIENE DERIVATIVES BY UTILIZING THE SAME SUMITOMO CHEMICAL CO (JP) 2004-10-06 EP disclosed
EP-0969010-B1 Transition metal compound and catalyst containing the same for polymerization of olefins JAPAN POLYOLEFINS CO LTD (JP) 2004-09-22 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-1015463-B1 METHOD FOR PRODUCING METALLOCENES BASELL POLYOLEFINE GMBH (DE) 2002-12-11 EP disclosed
EP-0694563-B1 Olefin polymerization catalyst and process for preparing polyolefins NIPPON MITSUBISHI OIL CORP (JP) 2002-10-30 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-5360921-A REACTING LITHIUM, SODIUM OR POTASSIUM SALT OF A CYCLOPENTADIENE DERIVATIVE WITH A SILICON OR GERMANIUM HALIDE COMPOUND IN THE PRESENCE OF A CYANIDE OR A THIOCYANATE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-11-01 US disclosed
EP-0617044-A2 Process for preparing cyclopentadienyl group-containing silicon compound or cyclopentadienyl group-containing germanium compound MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-09-28 EP 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-0546690-A1 Catalyst components for polymerization of olefins NIPPON OIL CO. LTD. (JP) 1993-06-16 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.