SCHEMBL3376074

SCHEMBL3376074

CC(C)CC(=O)CC(=O)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.44
HAO1 Q9UJM8 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.37
ACHE P22303 1/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
OR51E2 Q9H255 1/20 0.33
PTPN1 P18031 2/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
ERCC5 P28715 1/20 0.32
FEN1 P39748 1/20 0.32

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
SCHEMBL1924519 0.81 ALDH1A1 (0.53) CA2ALDH1A1TDP1CYP2C19CYP2D6
SCHEMBL6519768 0.80 ALDH1A1 (0.42) CA2ALDH1A1TDP1CYP2C19CYP2D6
SCHEMBL16808040 0.80 ALDH1A1 (0.48) CA2ALDH1A1TDP1CYP2C19CYP2D6
SCHEMBL6519753 0.80 ALDH1A1 (0.42) CA2ALDH1A1TDP1CYP2C19CYP2D6
SCHEMBL17733 0.79 ALDH1A1 (0.46) CA2ALDH1A1TDP1CYP2C19CYP2D6
2-Oxoisohexanoate SCHEMBL43491 0.78
2-Oxoisohexanoate SCHEMBL18302256 0.78 CA2 (0.52) CA2ALDH1A1TDP1CYP2C19CYP2D6
SCHEMBL9229777 0.78 CA2 (0.48) CA2ALDH1A1TDP1CYP2C19CYP2D6
Hydrogen Peroxide SCHEMBL16799548 0.78 CYP2C19 (0.56) CA2ALDH1A1TDP1CYP2C19CYP2D6
SCHEMBL28073104 0.77 ALDH1A1 (0.43) CA2ALDH1A1TDP1CYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100098934-A1 ELASTOMERIC URETHANE COMPOSITION BASF CORPORATION 2010-04-22 US claimed
US-7691480-B1 Elastomeric urethane composition BASF CORPORATION (US) 2010-04-06 US claimed
EP-0454843-A4 METHOD AND APPARATUS FOR THE RAPID DEPOSITION BY CHEMICAL VAPOR DEPOSITION WITH LOW VAPOR PRESSURE REACTANTS GEORGIA TECH RES INST (US) 1994-12-28 EP claimed
EP-0454843-A1 METHOD AND APPARATUS FOR THE RAPID DEPOSITION BY CHEMICAL VAPOR DEPOSITION WITH LOW VAPOR PRESSURE REACTANTS GEORGIA TECH RESEARCH CORPORATION (US) 1991-11-06 EP claimed
WO-1991007236-A1 METHOD AND APPARATUS FOR THE RAPID DEPOSITION BY CHEMICAL VAPOR DEPOSITION WITH LOW VAPOR PRESSURE REACTANTS GEORGIA TECH RESEARCH CORPORATION (US) 1991-05-30 WO claimed
CN-118084986-A Metal complexes comprising cyclopentadienyl ligands 默克专利有限公司 2024-05-28 CN disclosed
US-20220194963-A1 Metal Complexes Containing Cyclopentadienyl Ligands MERCK PATENT GMBH (DE) 2022-06-23 US disclosed
US-11312730-B2 Metal complexes containing cyclopentadienyl ligands MERCK PATENT GMBH (DE) 2022-04-26 US disclosed
EP-3538533-A1 METAL COMPLEXES CONTAINING CYCLOPENTADIENYL LIGANDS Merck Patent GmbH (DE) 2019-09-18 EP disclosed
US-20190276477-A1 Metal Complexes Containing Cyclopentadienyl Ligands MERCK PATENT GMBH (DE) 2019-09-12 US disclosed
WO-2018086730-A9 METAL COMPLEXES CONTAINING CYCLOPENTADIENYL LIGANDS MERCK PATENT GMBH (DE) 2019-07-11 WO disclosed
WO-2018086730-A1 METAL COMPLEXES CONTAINING CYCLOPENTADIENYL LIGANDS MERCK PATENT GMBH (DE) 2018-05-17 WO disclosed
EP-1021245-A4 NOVEL ZIRCONIUM URETHANE CATALYSTS KING INDUSTRIES INC (US) 2001-11-14 EP disclosed
EP-1021245-A1 NOVEL ZIRCONIUM URETHANE CATALYSTS KING INDUSTRIES, INC. (US) 2000-07-26 EP disclosed
US-5965686-A ZIRCONIUM ALKYACETOACETONATE AND DIKETONATE COMPLEX FOR POLYMERIZING POLYISOCYANTE AND POLYOLS TO FORM POLYURETHANE OR POLYETHERURETHANE KING INDUSTRIES, INC. (US) 1999-10-12 US disclosed
US-5846897-A Zirconium urethane catalysts KING INDUSTRIES, INC. (US) 1998-12-08 US disclosed
WO-1998041322-A1 NOVEL ZIRCONIUM URETHANE CATALYSTS KING INDUSTRIES, INC. (US) 1998-09-24 WO disclosed
EP-0454843-A4 METHOD AND APPARATUS FOR THE RAPID DEPOSITION BY CHEMICAL VAPOR DEPOSITION WITH LOW VAPOR PRESSURE REACTANTS GEORGIA TECH RES INST (US) 1994-12-28 EP disclosed
EP-0454843-A1 METHOD AND APPARATUS FOR THE RAPID DEPOSITION BY CHEMICAL VAPOR DEPOSITION WITH LOW VAPOR PRESSURE REACTANTS GEORGIA TECH RESEARCH CORPORATION (US) 1991-11-06 EP disclosed
WO-1991007236-A1 METHOD AND APPARATUS FOR THE RAPID DEPOSITION BY CHEMICAL VAPOR DEPOSITION WITH LOW VAPOR PRESSURE REACTANTS GEORGIA TECH RESEARCH CORPORATION (US) 1991-05-30 WO 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 (3 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-20190276477-A1 Metal Complexes Containing Cyclopentadienyl Ligands SOD1, PICALM, CNBP CA2 1267/4885HAO1 4560/4885ALDH1A1 3831/4885
US-11312730-B2 Metal complexes containing cyclopentadienyl ligands SOD1, PICALM, CNBP CA2 1267/4885HAO1 4560/4885ALDH1A1 3831/4885
US-20220194963-A1 Metal Complexes Containing Cyclopentadienyl Ligands SOD1, PICALM, CNBP CA2 1267/4885HAO1 4560/4885ALDH1A1 3831/4885

“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.