SCHEMBL4328217

SCHEMBL4328217

COC(=O)C(CC(C)C)N=C=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.36
POLB P06746 1/20 0.36
MIF P14174 3/20 0.34
CA14 Q9ULX7 3/20 0.34
TAS1R3 Q7RTX0 3/20 0.34
TAS1R1 Q7RTX1 3/20 0.34
CA12 O43570 2/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
BIRC2 Q13490 1/20 0.33
FOLH1 Q04609 1/20 0.32
DYRK3 O43781 2/20 0.32
CLK1 P49759 2/20 0.32
CLK2 P49760 2/20 0.32
CLK3 P49761 2/20 0.32
GSK3B P49841 2/20 0.32
DYRK1A Q13627 2/20 0.32
DYRK2 Q92630 2/20 0.32
CLK4 Q9HAZ1 2/20 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
SCHEMBL29648813 1.00 MME (0.36) MMEPOLBMIFCA14TAS1R3
SCHEMBL29035998 1.00 MME (0.36) MMEPOLBMIFCA14TAS1R3
SCHEMBL4328211 1.00 MME (0.36) MMEPOLBMIFCA14TAS1R3
SCHEMBL1278884 0.83 ALDH1A1 (0.33)
SCHEMBL6224340 0.83 MME (0.35) MMEPOLBMIFCA14TAS1R3
SCHEMBL13955558 0.83 MME (0.35) MMEPOLBMIFCA14TAS1R3
SCHEMBL23423424 0.82 MIF (0.33) MIFCA14CA12
SCHEMBL18531966 0.81 MIF (0.33) MIFCA14CA12CA7CA9
SCHEMBL20630584 0.80 CTSK (0.36) POLBCA7
SCHEMBL12486130 0.80 CTSK (0.36) POLBCA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115232130-A APN and AKT double-target-point inhibitor and preparation method and application thereof 山东大学 2022-10-25 CN claimed
US-12275710-B2 Compound, curing agent composition, resin composition, coating composition and resin cured product ASAHI KASEI KABUSHIKI KAISHA (JP) 2025-04-15 US disclosed
EP-3774961-B1 ADDUCTS OF AMINE CATALYSTS FOR PRODUCING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2025-01-15 EP 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
US-20240150515-A1 Low Viscosity Catalyst Compositions for Producing Isocyanurate Polymers COVESTRO DEUTSCHLAND AG (DE) 2024-05-09 US disclosed
CN-117897386-A Benzopyran derivatives and uses thereof 斯帕克生物制药有限公司 2024-04-16 CN disclosed
CN-115232130-B APN and AKT double-target inhibitor and preparation method and application thereof 山东大学 2024-01-12 CN disclosed
EP-4298140-A1 LOW VISCOSITY CATALYST COMPOSITIONS FOR PRODUCING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2024-01-03 EP disclosed
CN-116917364-A Low viscosity catalyst composition for producing isocyanurate polymers 科思创德国股份有限公司 2023-10-20 CN disclosed
WO-2023106377-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND 旭化成株式会社 2023-06-15 WO disclosed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP disclosed
US-6281363-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; AUTOIMMUNE DISORDERS HOFFMANN-LA ROCHE INC. 2001-08-28 US disclosed
EP-1037905-A1 ANTIPICORNAVIRAL COMPOUNDS AND METHODS FOR THEIR USE AND PREPARATION AGOURON PHARMACEUTICALS, INC. (US) 2000-09-27 EP disclosed
WO-2000035885-A1 CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO disclosed
US-5962487-A PICORNAVIRAL 3C PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1999-10-05 US disclosed
WO-1999031122-A9 ANTIPICORNAVIRAL COMPOUNDS AND METHODS FOR THEIR USE AND PREPARATION AGOURON PHARMA (US) 1999-09-30 WO disclosed
WO-1999031122-A1 ANTIPICORNAVIRAL COMPOUNDS AND METHODS FOR THEIR USE AND PREPARATION AGOURON PHARMACEUTICALS, INC. (US) 1999-06-24 WO disclosed
CN-1039026-A The method for preparing trinucleated 3-oxo-propanenitrile derivatives ERBA CARLO SPA (IT) 1990-01-24 CN disclosed
EP-0207358-A2 Growth-promoting agent BAYER AG (DE) 1987-01-07 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 (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-12275710-B2 Compound, curing agent composition, resin composition, coating composition and resin cured product CARM1, KDM2B, UFM1 MME 1671/4885POLB 3419/4885MIF 2729/4885

“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.