SCHEMBL5697765

SCHEMBL5697765

C=CC(=O)NC(C)(C)C(=O)OCCc1ccc(N(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 4/20 0.38
NPC1 O15118 4/20 0.38
HPGD P15428 4/20 0.38
MAPK1 P28482 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GAA P10253 2/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CNR2 P34972 1/20 0.36
CALM1 P0DP23 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MAPT P10636 6/20 0.34
RAB9A P51151 3/20 0.34
THRB P10828 2/20 0.34
MCL1 Q07820 2/20 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
SCHEMBL30780832 0.77 ALDH1A1 (0.52) ALDH1A1CYP3A4CYP2C9CYP2C19NPC1
SCHEMBL26478900 0.72 TSHR (0.38) ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL24234732 0.72 CNR2 (0.37) ALDH1A1CYP3A4KDM4ENPC1HPGD
SCHEMBL17995995 0.71 ALDH1A1 (0.36) ALDH1A1CYP3A4CYP2C9CYP2C19MAPK1
SCHEMBL7789600 0.71 ALDH1A1 (0.58) ALDH1A1CYP3A4CYP2C9CYP2C19NPC1
SCHEMBL11382425 0.71 RAD52 (0.48) ALDH1A1CYP3A4KDM4ENPC1HPGD
SCHEMBL14007854 0.70 TSHR (0.51) ALDH1A1CYP3A4CYP2C9CYP2C19HPGD
SCHEMBL16283599 0.69 ALDH1A1 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL28531647 0.69 TGM2 (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19MAPK1
SCHEMBL22702010 0.69 PKM (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1272147-B1 DENTAL MATERIALS WITH EXTENDABLE WORK TIME, KITS, AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2006-06-21 EP claimed
CN-122056781-A Two-part dental sealant, method of administration with a syringe device, and kit 舒万诺知识产权公司 2026-05-19 CN disclosed
US-20250064555-A1 Hardenable Dental Compositions Comprising Basic Core Material Encapsulated in an Inorganic Shell and Dispensing Devices Therewith SOLVENTUM INTELLECTUAL PROPERTIES COMPANY (US) 2025-02-27 US disclosed
US-20240423755-A1 Two-Part Dental Sealant, Method of Applying with a Syringe Device, and Kit SOLVENTUM INTELLECTUAL PROPERTIES COMPANY (US) 2024-12-26 US disclosed
US-12161523-B2 Hardenable dental compositions comprising basic core material encapsulated in an inorganic shell and dispensing devices therewith SOLVENTUM INTELLECTUAL PROPERTIES COMPANY (US) 2024-12-10 US disclosed
US-12102499-B2 Two-part dental sealant, method of applying with a syringe device, and kit SOLVENTUM INTELLECTUAL PROPERTIES COMPANY (US) 2024-10-01 US disclosed
US-20230134622-A1 TWO-PART DENTAL SEALANT, METHOD OF APPLYING WITH A SYRINGE DEVICE, AND KIT SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2023-05-04 US disclosed
EP-1272147-B1 DENTAL MATERIALS WITH EXTENDABLE WORK TIME, KITS, AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2006-06-21 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 (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-20230134622-A1 TWO-PART DENTAL SEALANT, METHOD OF APPLYING WITH A SYRINGE DEVICE, AND KIT MMAB, SRM, MAT2A ALDH1A1 1037/4885CYP3A4 4728/4885CYP2C9 3554/4885
US-20240423755-A1 Two-Part Dental Sealant, Method of Applying with a Syringe Device, and Kit MAT2A, MMAB, KIT ALDH1A1 982/4885CYP3A4 4564/4885CYP2C9 2981/4885
US-12161523-B2 Hardenable dental compositions comprising basic core material encapsulated in an inorganic shell and dispensing devices therewith ALPG, ALPP, ALPL ALDH1A1 2313/4885CYP3A4 4657/4885CYP2C9 3739/4885
US-12102499-B2 Two-part dental sealant, method of applying with a syringe device, and kit MMAB, SRM, MAT2A ALDH1A1 1037/4885CYP3A4 4728/4885CYP2C9 3554/4885
US-20250064555-A1 Hardenable Dental Compositions Comprising Basic Core Material Encapsulated in an Inorganic Shell and Dispensing Devices Therewith ALPG, ALPP, ALPL ALDH1A1 2313/4885CYP3A4 4657/4885CYP2C9 3739/4885

“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.