SCHEMBL4652340

SCHEMBL4652340

CC1=C([SiH3])C(C)c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.35
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31
HTR2B P41595 1/20 0.31
POLB P06746 1/20 0.31
TYR P14679 1/20 0.30
PBRM1 Q86U86 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30

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
SCHEMBL1941203 0.77 GPR3 (0.38) GPR3DRD2DRD4HTR2AHTR7
Hydrochloric Acid SCHEMBL6352940 0.77 GPR3 (0.34) GPR3DRD2DRD4HTR2AHTR7
SCHEMBL29387555 0.74 GPR3 (0.35) GPR3DRD2DRD4HTR2AHTR7
SCHEMBL6345077 0.74 GPR3 (0.35) GPR3DRD2DRD4HTR2AHTR7
SCHEMBL10700099 0.74 POLB (0.38) GPR3DRD2DRD4HTR2AHTR7
SCHEMBL17008820 0.74 GPR3 (0.35) GPR3DRD2DRD4HTR2AHTR7
SCHEMBL6757894 0.74 AURKA (0.38) GPR3DRD2DRD4HTR2AHTR7
SCHEMBL4652590 0.74 GPR3 (0.35) GPR3DRD2DRD4HTR2AHTR7
SCHEMBL29641604 0.73 GPR3 (0.52) GPR3DRD2DRD4HTR2AHTR7
SCHEMBL40599 0.73 GPR3 (0.52) GPR3DRD2DRD4HTR2AHTR7

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 42 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-20020128401-A1 SELF-SUPPORTED HYBRD CATALYSTS FOR THE PRODUCTION OF POLYOLEFINS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION 2002-09-12 US disclosed
US-6444605-B1 REACTING A REACTION PRODUCT OF A MAGNESIUM ALKOXIDE OR ARYLOXIDE AND A GROUP IVB METAL ALKOXIDE OR ARYLOXIDE; AND A CYCLIC OR POLYCYCLIC HYDROCARBON; PREPARING POLYOLEFINS WITH BROAD OR BIMODAL MOLECULAR WEIGHT DISTRIBUTION UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION 2002-09-03 US disclosed
US-6399531-B1 COORDINATION CATALYST UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION 2002-06-04 US disclosed
US-20020061985-A1 MIXED METAL ALKOXIDE AND CYCLOALKADIENYL CATALYSTS FOR THE PRODUCTION OF POLYOLEFINS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION 2002-05-23 US disclosed
EP-0520811-B1 Catalyst components for polymerization of olefins NIPPON OIL CO LTD (JP) 1996-05-08 EP disclosed
EP-0694563-A1 Olefin polymerization catalyst and process for preparing polyolefins NIPPON OIL COMPANY, LIMITED (JP) 1996-01-31 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
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-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 GPR3 2377/4885DRD2 2402/4885DRD4 1916/4885

“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.