SCHEMBL23718629

SCHEMBL23718629

C=C(CC(CC(=C)C(=O)OCC)(C(=O)OCC)C(=O)OCc1ccc(COC(=O)C(CC(=C)C(=O)OCC)(CC(=C)C(=O)OCC)C(=O)OCC)cc1)C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.36
PTPN1 P18031 2/20 0.36
PTPRC P08575 1/20 0.36
GAA P10253 2/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
TSHR P16473 2/20 0.35
PIN1 Q13526 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTT P42858 2/20 0.34
RECQL P46063 1/20 0.34
MMP8 P22894 1/20 0.34
OPRK1 P41145 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
SCHEMBL26597169 0.89 ALDH1A1 (0.32) ALDH1A1MAPTPOLBPTPN1PTPRC
SCHEMBL7919109 0.87 PTPN1 (0.48) ALDH1A1MAPTPTPN1PTPRCGAA
SCHEMBL2770601 0.86 MEN1 (0.43) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL23718618 0.82 L3MBTL1 (0.39) ALDH1A1MAPTKMT2AMEN1TSHR
SCHEMBL7920791 0.82 ALDH1A1 (0.46) ALDH1A1PTPN1PTPRCKMT2AMEN1
SCHEMBL7920810 0.81 PTPN1 (0.43) ALDH1A1MAPTPTPN1PTPRCGAA
SCHEMBL7063607 0.80 ALDH1A1 (0.50) ALDH1A1MAPTPOLBPTPN1PTPRC
SCHEMBL7066945 0.79 MEN1 (0.41) ALDH1A1MAPTKMT2AMEN1TSHR
SCHEMBL6049020 0.79 ALDH1A1 (0.51) ALDH1A1MAPTPOLBGAAKMT2A
SCHEMBL23736641 0.77 THRB (0.42) ALDH1A1MAPTKMT2AMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11793732-B2 Dental materials based on cyclopolymerizable crosslinkers IVOCLAR VIVADENT AG (LI) 2023-10-24 US disclosed
EP-3861976-A1 DENTAL MATERIALS BASED ON CYCLOPOLYMERISABLE CROSS-LINKING AGENTS Ivoclar Vivadent AG (LI) 2021-08-11 EP disclosed
US-20210236388-A1 Dental Materials Based On Cyclopolymerizable Crosslinkers IVOCLAR VIVADENT AG (LI) 2021-08-05 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 (2 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-11793732-B2 Dental materials based on cyclopolymerizable crosslinkers CBR3, CBR1, C1R ALDH1A1 2217/4885MAPT 2041/4885POLB 2548/4885
US-20210236388-A1 Dental Materials Based On Cyclopolymerizable Crosslinkers CBR3, CBR1, C1R ALDH1A1 2221/4885MAPT 2119/4885POLB 2632/4885

“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.