SCHEMBL460694

SCHEMBL460694

Cc1c(C)c(CN=C=O)c(C)c(C)c1CN=C=O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.30
CASP1 P29466 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
SCHEMBL78796 0.95 CYP3A4 (0.30) CYP3A4
SCHEMBL22535914 0.94 CYP3A4 (0.32) CYP3A4TSHRCASP1
SCHEMBL20144 0.92 CYP3A4 (0.31) CYP3A4
Ammonia Solution, Strong SCHEMBL28288673 0.89 CYP3A4 (0.30) CYP3A4
Cyclohexane SCHEMBL28101384 0.85
SCHEMBL27739772 0.85
SCHEMBL28309334 0.85
Carbimide SCHEMBL28988925 0.85
SCHEMBL29619540 0.85
SCHEMBL8387338 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114144447-B Poly (arylene ether) composition 高新特殊工程塑料全球技术有限公司 2023-08-22 CN claimed
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-115612096-A Polyoxazolidinone prepolymer and preparation method and application thereof 广州市嵩达新材料科技有限公司 2023-01-17 CN claimed
CN-115490828-A Modified polyoxazolidone prepolymer and high-temperature-resistant photocuring adhesive based on same 广州市嵩达新材料科技有限公司 2022-12-20 CN claimed
US-20160251472-A1 POLYFUNCTIONAL URETHANE (METH)ACRYLATES COMPRISING LOW-MONOMER-CONTENT DIISOCYANATE MONOADDUCTS EVONIK DEGUSSA GMBH (DE) 2016-09-01 US claimed
US-8841479-B2 Low monomer 1 : 1 monoadducts of reactive olefinic compounds and diisocyanates using insertable inhibitors EVONIK DEGUSSA GMBH (DE) 2014-09-23 US claimed
CN-102292371-B Low monomer 1 : 1 monoadducts of reactive olefinic compounds and diisocyanates using insertable inhibitors EVONIK DEGUSSA GMBH 2014-09-17 CN claimed
EP-2367864-B1 LOW MONOMER 1 : 1 MONOADDUCTS OF REACTIVE OLEFINIC COMPOUNDS AND DIISOCYANATES USING INSERTABLE INHIBITORS EVONIK DEGUSSA GMBH (DE) 2012-10-03 EP claimed
US-20110251424-A1 LOW MONOMER 1 : 1 MONOADDUCTS OF REACTIVE OLEFINIC COMPOUNDS AND DIISOCYANATES USING INSERTABLE INHIBITORS EVONIK DEGUSSA GMBH (DE) 2011-10-13 US claimed
EP-1136495-B1 1:1 monoadducts of aminoalkylalkoxysilanes and diisocyanates, their preparation and use DEGUSSA (DE) 2006-06-28 EP claimed
US-20260137080-A1 EARLY APPLICATIONS OF ENCAPSULATED ACETAMIDES FOR REDUCED INJURY IN CROPS MONSANTO TECH LLC (US) 2026-05-21 US disclosed
EP-4731688-A1 METHOD FOR THE PRODUCTION OF A HYDROXYL-GROUP TERMINATED OXAZOLIDINONE COMPOSITION Covestro Deutschland AG (DE) 2026-04-29 EP disclosed
US-12606715-B2 Aqueous ink composition for writing instruments MITSUBISHI PENCIL COMPANY, LIMITED (JP) 2026-04-21 US disclosed
US-12577418-B2 Ink composition for water-based ballpoint pens MITSUBISHI PENCIL COMPANY, LIMITED (JP) 2026-03-17 US disclosed
US-20260071091-A1 SELF-HEALING TRANSPARENT COATING COMPOSITION USING SUNLIGHT AND APPLICATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2026-03-12 US disclosed
EP-0390218-A2 Anti-reflection optical element HOYA CORPORATION (JP) 1990-10-03 EP disclosed
EP-0017998-B2 Process for continuous preparation of (cyclo)-aliphatic polyisocyanates containing isocyanurate groups HÜLS AKTIENGESELLSCHAFT (DE) 1988-10-26 EP disclosed
US-4454317-A USING VERY LOW CONCENTRATIONS OF A QUATERNARY N-/HYDROXYALKYL/AMMONIUM SALT OF AN ORGANIC ACID CHEMISCHE WERKE HULS AKTIENGESELLSCHAFT (DE) 1984-06-12 US disclosed
EP-0017998-A1 Process for continuous preparation of (cyclo)-aliphatic polyisocyanates containing isocyanurate groups HÜLS AKTIENGESELLSCHAFT (DE) 1980-10-29 EP disclosed
US-4049632-A Chain extending polyurethanes with a large excess of water ARMSTRONG CORK COMPANY (US) 1977-09-20 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 (5 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-12577418-B2 Ink composition for water-based ballpoint pens UTP18, U2AF1, WDR12 CYP3A4 4356/4885TSHR 4530/4885CASP1 1390/4885
US-20260071091-A1 SELF-HEALING TRANSPARENT COATING COMPOSITION USING SUNLIGHT AND APPLICATION THEREOF PCNA, CUTA, COL1A1 CYP3A4 1830/4885TSHR 4154/4885CASP1 988/4885
US-20260137080-A1 EARLY APPLICATIONS OF ENCAPSULATED ACETAMIDES FOR REDUCED INJURY IN CROPS SRM, PFAS, ACMSD CYP3A4 4086/4885TSHR 1596/4885CASP1 892/4885
US-12606715-B2 Aqueous ink composition for writing instruments UTP18, PUF60, EXOSC10 CYP3A4 4503/4885TSHR 4430/4885CASP1 3919/4885
US-20110251424-A1 LOW MONOMER 1 : 1 MONOADDUCTS OF REACTIVE OLEFINIC COMPOUNDS AND DIISOCYANATES USING INSERTABLE INHIBITORS CYP1B1, HCFC1, DIMT1 CYP3A4 226/4885TSHR 4848/4885CASP1 824/4885

“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.