SCHEMBL4429378

SCHEMBL4429378

CC1CC(C)(C)C(=O)CC1=O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
CYP3A4 P08684 1/20 0.33
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 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
SCHEMBL2689523 0.69
SCHEMBL6192821 0.65
SCHEMBL21247206 0.65
SCHEMBL2904914 0.65
SCHEMBL108518 0.65
SCHEMBL1238782 0.62 CA1 (0.38) CA1CA2CA4
SCHEMBL24410787 0.62 TP53 (0.35) MAPTCYP3A4
SCHEMBL2691037 0.62 CYP3A4 (0.41) MAPTCYP3A4CA1CA2CA4
SCHEMBL4009745 0.62
SCHEMBL20100996 0.62 CYP3A4 (0.41) MAPTCYP3A4CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598384-B2 Tetrahydroquinolinones and their use as antagonists of metabotropic glutamate receptors MERZ PHARMA GMBH & CO. KGAA (DE) 2009-10-06 US disclosed
EP-1723116-B1 TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO KGAA (DE) 2008-09-24 EP disclosed
EP-1723116-A2 TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS Merz Pharma GmbH & Co. KGaA (DE) 2006-11-22 EP disclosed
WO-2005082856-A2 TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2005-09-09 WO disclosed
US-20050197361-A1 Specific binding is extremely high; low toxicity; high degree of activity; 2-(5-m-Tolyl-thiazol-2-yl )-7,8-dihydro-6H-quinolin-5-one, acute and/or chronic neurological disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2005-09-08 US disclosed
US-6756343-B1 CONTROLLING RICE PADDY FIELD WEEDS AT LOW DOSAGE DOSE; PLANT SAFENING IDEMITSU KOSAN CO., LTD. (JP) 2004-06-29 US disclosed
US-20040002425-A1 Triketone derivatives and herbicides IDEMITSU KOSAN CO., LTD. (JP) 2004-01-01 US disclosed
EP-1120413-A1 TRIKETONE DERIVATIVE AND HERBICIDE IDEMITSU KOSAN COMPANY LIMITED (JP) 2001-08-01 EP disclosed
US-5306695-A Haloalkoxy-substituted benzoylcyclohexanediones as herbicides and plant growth regulators HOECHST AKTIENGESELLSCHAFT (DE) 1994-04-26 US disclosed
EP-0502492-A2 Haloalkoxy-substituted benzoylcyclohexanediones as herbicides and plant growth regulators Hoechst Schering AgrEvo GmbH (DE) 1992-09-09 EP disclosed
US-4946981-A HERBICIDES ICI AMERICAS INC. (US) 1990-08-07 US disclosed
US-4853028-A Certain 2-(2-substituted benzoyl)-1,3-cyclohexanediones STAUFFER CHEMICAL COMPANY (US) 1989-08-01 US disclosed
US-4822906-A HERBICIDE INTERMEDIATE STAUFFER CHEMICAL COMPANY (US) 1989-04-18 US disclosed
US-4816066-A HERBICIDES STAUFFER CHEMICAL COMPANY (US) 1989-03-28 US disclosed
US-4806146-A HERBICIDES STAUFFER CHEMICAL COMPANY (US) 1989-02-21 US disclosed
EP-0186120-B1 CERTAIN-2-(2'-ALKYLBENZOYL)-1,3-CYCLOHEXANEDIONES STAUFFER CHEMICAL COMPANY (US) 1988-11-23 EP disclosed
US-4780127-A Certain 2-(substituted benzoyl)-1,3-cyclohexanediones and their use as herbicides STAUFFER CHEMICAL COMPANY (US) 1988-10-25 US disclosed
US-4695673-A Process for the production of acylated 1,3-dicarbonyl compounds STAUFFER CHEMICAL COMPANY (US) 1987-09-22 US disclosed
EP-0186120-A1 Certain-2-(2'-alkylbenzoyl)-1,3-cyclohexanediones STAUFFER CHEMICAL COMPANY (US) 1986-07-02 EP disclosed
EP-0186117-A2 Process for the production of acylated diketonic compounds STAUFFER CHEMICAL COMPANY (US) 1986-07-02 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-20040002425-A1 Triketone derivatives and herbicides SYMPK, STK36, STK32A MAPT 2107/4885CYP3A4 1446/4885CA1 2942/4885
US-20050197361-A1 Specific binding is extremely high; low toxicity; high degree of activity; 2-(5-m-Tolyl-thiazol-2-yl )-7,8-dihydro-6H-quinolin-5-one, acute and/or chronic neurological disorders GRM5, GRIK5, GRIN2C MAPT 882/4885CYP3A4 2398/4885CA1 2943/4885

“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.