SCHEMBL654398

SCHEMBL654398

[O-][N+]#Cc1c(OCC2CO2)ccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
GLA P06280 1/20 0.44
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 3/20 0.37
TSHR P16473 3/20 0.37
HIF1A Q16665 2/20 0.37
CYP3A4 P08684 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDK1 Q15118 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PKM P14618 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
ADRA1D P25100 3/20 0.33
ADRA1A P35348 3/20 0.33
ADRA1B P35368 3/20 0.33
PTPN1 P18031 1/20 0.32
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31

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
SCHEMBL29212120 0.88 ALDH1A1 (0.41) ALDH1A1GLATDP1TP53TSHR
SCHEMBL22163963 0.85 ADRA1D (0.36) ALDH1A1GLAPDK1PKMADRA1D
SCHEMBL26071286 0.84 KCNA3 (0.34) TDP1MEN1KMT2AGAAADRA1D
SCHEMBL10019289 0.84 RIPK1 (0.37) SLC6A4
SCHEMBL23581421 0.84 ALDH1A1 (0.49) ALDH1A1GLATDP1TP53TSHR
SCHEMBL27224593 0.84 ALDH1A1 (0.49) ALDH1A1GLATDP1TP53TSHR
SCHEMBL12290140 0.81 MAPT (0.36) ALDH1A1TDP1TSHRSMN1; SMN2LMNA
SCHEMBL2430976 0.78 KCNA3 (0.43) TDP1GAASLC6A4
SCHEMBL30026680 0.78 TDP1 (0.54) ALDH1A1GLATDP1TP53TSHR
SCHEMBL10010232 0.78 TDP1 (0.54) ALDH1A1GLATDP1TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507611-B2 Crosslinkable polymer material, crosslinked polymer material, and production method thereof TOYODA GOSEI CO., LTD. (JP) 2013-08-13 US claimed
US-20120046418-A1 CROSSLINKABLE POLYMER MATERIAL, CROSSLINKED POLYMER MATERIAL, AND PRODUCTION METHOD THEREOF TOKYO INSTITUTE OF TECHNOLOGY (JP) 2012-02-23 US claimed
US-20250059349-A1 ELASTOMER COMPOSITION BASED ON AT LEAST ONE NITRILE OXIDE COMPOUND COMPRISING AN EPOXY GROUP COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2025-02-20 US disclosed
EP-4452957-A1 1,3-DIPOLAR COMPOUND COMPRISING AN EPOXY GROUP AND ITS SYNTHESIS INTERMEDIATES COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2024-10-30 EP disclosed
EP-4453041-A1 POLYMER CARRYING SPECIFIC EPOXY FUNCTIONAL PENDANT GROUPS COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2024-10-30 EP disclosed
EP-4453042-A1 ELASTOMER COMPOSITION BASED ON AT LEAST ONE NITRILE OXIDE COMPOUND COMPRISING AN EPOXY GROUP COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2024-10-30 EP disclosed
EP-4081577-B1 MASTERBATCH BASED ON A MODIFIED POLYMER AND AN ORGANOPHOSPHORUS ADDITIVE, AND METHOD FOR MANUFACTURING SAME MICHELIN & CIE (FR) 2024-05-29 EP disclosed
CN-114846058-B Masterbatch based on modified polymer and organophosphorus additive and preparation method thereof 米其林集团总公司 2024-05-10 CN disclosed
US-20230312765-A1 COMPOUND COMPRISING AN EPOXIDE GROUP COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2023-10-05 US disclosed
WO-2023117843-A1 ELASTOMER COMPOSITION BASED ON AT LEAST ONE NITRILE OXIDE COMPOUND COMPRISING AN EPOXY GROUP COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2023-06-29 WO disclosed
WO-2023117840-A1 POLYMER CARRYING SPECIFIC EPOXY FUNCTIONAL PENDANT GROUPS COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2023-06-29 WO disclosed
EP-3713773-A1 RUBBER COMPOSITION Compagnie Générale des Etablissements Michelin (FR) 2020-09-30 EP disclosed
CN-111356596-A Rubber composition 米其林集团总公司 2020-06-30 CN disclosed
WO-2019102132-A1 RUBBER COMPOSITION COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2019-05-31 WO disclosed
US-8507611-B2 Crosslinkable polymer material, crosslinked polymer material, and production method thereof TOYODA GOSEI CO., LTD. (JP) 2013-08-13 US disclosed
US-8507611-B2 Crosslinkable polymer material, crosslinked polymer material, and production method thereof TOYODA GOSEI CO., LTD. (JP) 2013-08-13 US disclosed
US-8507611-B2 Crosslinkable polymer material, crosslinked polymer material, and production method thereof TOYODA GOSEI CO., LTD. (JP) 2013-08-13 US disclosed
US-20120046418-A1 CROSSLINKABLE POLYMER MATERIAL, CROSSLINKED POLYMER MATERIAL, AND PRODUCTION METHOD THEREOF TOKYO INSTITUTE OF TECHNOLOGY (JP) 2012-02-23 US disclosed
US-20120046418-A1 CROSSLINKABLE POLYMER MATERIAL, CROSSLINKED POLYMER MATERIAL, AND PRODUCTION METHOD THEREOF TOKYO INSTITUTE OF TECHNOLOGY (JP) 2012-02-23 US disclosed
US-20120046418-A1 CROSSLINKABLE POLYMER MATERIAL, CROSSLINKED POLYMER MATERIAL, AND PRODUCTION METHOD THEREOF TOKYO INSTITUTE OF TECHNOLOGY (JP) 2012-02-23 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-20230312765-A1 COMPOUND COMPRISING AN EPOXIDE GROUP F12, EPHX2, C9 ALDH1A1 2025/4885GLA 2330/4885TDP1 4419/4885

“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.