SCHEMBL458201

SCHEMBL458201

CCc1cc[c]c(C)c1CC

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
GABRA1 P14867 2/20 0.30
GABRB2 P47870 2/20 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
SCHEMBL10496859 0.85 NOS2 (0.32) NOS2
SCHEMBL3422479 0.80 NOS3 (0.31) NOS3NOS2
SCHEMBL486931 0.79 GABRA1 (0.31) GABRA1GABRB2
SCHEMBL15063777 0.79 NOS3 (0.38) NOS3NOS2
SCHEMBL125379 0.77 GABRA1 (0.30) GABRA1GABRB2
SCHEMBL8177586 0.76 ESR1 (0.33)
SCHEMBL28200997 0.76
SCHEMBL15063836 0.76 GABRA1 (0.38) GABRA1GABRB2
SCHEMBL458751 0.76
SCHEMBL15063830 0.76 CTRC (0.32)

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 95 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US claimed
US-7247687-B2 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-07-24 US claimed
EP-1521758-B1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2006-05-24 EP claimed
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-03-02 US claimed
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP claimed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO claimed
CN-118302407-A Carbonyl compound, method for producing isocyanate compound, and isocyanate composition 旭化成株式会社 2024-07-05 CN disclosed
CN-118215651-A Method for producing isocyanate compound, method for producing urethane compound, method for recovering amine compound, and isocyanate composition 旭化成株式会社 2024-06-18 CN disclosed
WO-2023080258-A1 CARBONYL COMPOUND, METHOD FOR PRODUCING CARBONYL COMPOUND, METHOD FOR PRODUCING ISOCYANATE COMPOUND, AND ISOCYANATE COMPOSITION 旭化成株式会社 2023-05-11 WO disclosed
WO-2023080257-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUNDS, METHOD FOR PRODUCING CARBAMATE COMPOUNDS, METHOD FOR RECOVERING AMINE COMPOUNDS, AND ISOCYANATE COMPOSITION 旭化成株式会社 2023-05-11 WO disclosed
CN-114303096-A Film-forming composition for lithography, resist pattern formation method, circuit pattern formation method, and purification method 三菱瓦斯化学株式会社 2022-04-08 CN disclosed
WO-2021039843-A1 COMPOSITION FOR FORMING FILM FOR LITHOGRAPHY, RESIST PATTERN FORMING METHOD, CIRCUIT PATTERN FORMING METHOD AND PURIFICATION METHOD 三菱瓦斯化学株式会社 2021-03-04 WO disclosed
US-20210003921-A1 COMPOUND, RESIN, COMPOSITION, AND FILM FORMING MATERIAL FOR LITHOGRAPHY USING THE SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-01-07 US disclosed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO disclosed
US-6054580-A STERICALLY HINDERED CROWN COMPOUND LIGAND FOR COMPLEXING WITH TRANSITION METAL AS OXIDATION CATALYST RESISTANT TO OXIDIZER DURING USE CARNEGIE MELLON UNIVERSITY (US) 2000-04-25 US disclosed
US-5708127-A HEAT RESISTANT MATRIX POLYMER COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1998-01-13 US disclosed
EP-0672044-A4 BISNADIMIDES. COMMW SCIENT IND RES ORG (AU) 1997-08-20 EP disclosed
EP-0672044-A1 BISNADIMIDES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1995-09-20 EP disclosed
WO-1994013669-A1 BISNADIMIDES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1994-06-23 WO disclosed
EP-0053320-A2 Process for the preparation of phthalocyanin compounds BAYER AG (DE) 1982-06-09 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 (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-20210003921-A1 COMPOUND, RESIN, COMPOSITION, AND FILM FORMING MATERIAL FOR LITHOGRAPHY USING THE SAME COL1A1, MLLT3, F12 NOS3 2419/4885NOS2 1878/4885GABRA1 1717/4885
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization MLX, LOX, LMTK3 NOS3 1915/4885NOS2 2391/4885GABRA1 3688/4885

“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.