SCHEMBL2906765

SCHEMBL2906765

CC(C)(C)c1cccc(CN=C=O)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.49
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
ACHE P22303 4/20 0.39
BCHE P06276 4/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
SOD1 P00441 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
CCR9 P51686 1/20 0.35
KIF11 P52732 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
BACE1 P56817 1/20 0.35
GRIN2B Q13224 1/20 0.34

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
Chloromethane SCHEMBL15655633 0.83 MIF (0.43) MIFGRIN2B
SCHEMBL2489084 0.83 MIF (0.71) MIFGRIN2B
SCHEMBL8816811 0.82 GABRA1 (0.37) MIFCYP2C19RXRARXRB
SCHEMBL460071 0.82 POLB (0.34) MIFACHEBCHECYP2C19RXRA
SCHEMBL5465655 0.81 MIF (0.47) MIFCYP1A2CYP2C19GRIN2B
SCHEMBL26785 0.81 MIF (0.47) MIFCYP1A2CYP2C19GRIN2B
SCHEMBL1457268 0.80 GABRA1 (0.41) MIFCYP1A2SOD1KIF11GRIN2B
SCHEMBL30317997 0.80 GABRA1 (0.41) MIFCYP1A2SOD1KIF11GRIN2B
SCHEMBL22471928 0.79 MIF (0.46) MIFCYP1A2CYP2C19GRIN2B
SCHEMBL28048374 0.79 MIF (0.46) MIFCYP1A2CYP2C19GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116533420-A Preparation method of near infrared barrier polyurethane lens 浙江伟星光学股份有限公司 2023-08-04 CN claimed
CN-112391048-A Polyurethane lens with infrared and blue light prevention function and manufacturing method thereof 上海伟星光学有限公司 2021-02-23 CN claimed
CN-117321140-A Aging-resistant moisture-curable composition 科思创德国股份有限公司 2023-12-29 CN disclosed
CN-117203252-A Process for preparing isocyanate group-terminated polyoxazolidone compositions 科思创德国股份有限公司 2023-12-08 CN disclosed
CN-116568719-A Compositions comprising epoxy-functional oxazolidinones 科思创德国股份有限公司 2023-08-08 CN disclosed
CN-116533420-A Preparation method of near infrared barrier polyurethane lens 浙江伟星光学股份有限公司 2023-08-04 CN disclosed
CN-116486694-A Display protector 白石有限公司 2023-07-25 CN disclosed
EP-4157912-A1 COMPOSITIONS CONTAINING URETDIONE GROUPS CROSSLINKING AT LOW TEMPERATURES Covestro Deutschland AG (DE) 2023-04-05 EP disclosed
CN-115605525-A Uretdione group-containing compositions which crosslink at low temperatures 科思创德国股份有限公司(DE) 2023-01-13 CN disclosed
EP-4107198-A1 POLYISOCYANATE PREPARATIONS Covestro Deutschland AG (DE) 2022-12-28 EP disclosed
CN-115464965-A Display protector 白石有限公司 2022-12-13 CN disclosed
CN-113238304-A Method for manufacturing zirconium dioxide-loaded antibacterial polyurethane lens by adopting coated silver ions 上海伟星光学有限公司 2021-08-10 CN disclosed
CN-109476812-B Low hardness polyurethane dispersions 科思创德国股份有限公司 2021-04-20 CN disclosed
CN-112566957-A Ionically hydrophilicized polyisocyanates having improved drying properties 科思创知识产权两合公司 2021-03-26 CN disclosed
CN-112391048-A Polyurethane lens with infrared and blue light prevention function and manufacturing method thereof 上海伟星光学有限公司 2021-02-23 CN disclosed
WO-2021004980-A1 PROCESS OF PREPARING ALLOPHANATE- AND/OR THIOALLOPHANATE GROUP-CONTAINING COMPOUNDS COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2021-01-14 WO disclosed
WO-2021004978-A1 METHOD FOR PRODUCING ISOCYANURATES FROM URETDIONES COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2021-01-14 WO disclosed
WO-2020014971-A1 IONICALLY HYDROPHILIZED POLYISOCYANATES WITH IMPROVED DRYING COVESTRO DEUTSCHLAND AG (DE) 2020-01-23 WO disclosed
EP-1989194-B1 CYCLIC SULFONES USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2010-08-25 EP disclosed
US-20090099207-A1 Cyclic sulfones useful as BACE inhibitors RUEEGER HEINRICH 2009-04-16 US 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-20090099207-A1 Cyclic sulfones useful as BACE inhibitors BACE1, BACE2, APP MIF 676/4885HDAC4 2540/4885HDAC2 1215/4885

“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.