SCHEMBL21493250

SCHEMBL21493250

O=C(OCC1COCO1)C1COCO1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALDH1A1 P00352 1/20 0.40
MGLL Q99685 3/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
LMNA P02545 2/20 0.30
POLB P06746 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
SCHEMBL7153238 0.81 ALDH1A1 (0.44) TP53CYP3A4ALDH1A1MGLLIRAK4
SCHEMBL4807514 0.81 TP53 (0.62) TP53CYP3A4ALDH1A1MGLL
SCHEMBL12234487 0.79 ALDH1A1 (0.43) TP53CYP3A4ALDH1A1MGLL
SCHEMBL18691824 0.79 ALDH1A1 (0.43) TP53CYP3A4ALDH1A1MGLLIRAK4
SCHEMBL9106972 0.78 ALDH1A1 (0.42) TP53CYP3A4ALDH1A1MGLLIRAK4
SCHEMBL1866306 0.78 ALDH1A1 (0.39) ALDH1A1LMNAPOLB
SCHEMBL21804854 0.78 ALDH1A1 (0.47) TP53CYP3A4ALDH1A1MGLLLMNA
SCHEMBL16244518 0.78 ALDH1A1 (0.42) TP53CYP3A4ALDH1A1MGLLIRAK4
SCHEMBL9724896 0.78 ALDH1A1 (0.50) TP53CYP3A4ALDH1A1MGLLIRAK4
SCHEMBL18030278 0.77 ALDH1A1 (0.45) TP53CYP3A4ALDH1A1IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3564227-B1 METHOD FOR PRODUCING GLYCERIC ACID ESTER DERIVATIVES KAO CORP (JP) 2022-02-23 EP disclosed
EP-3564226-B1 METHOD FOR PRODUCING GLYCERIC ACID ESTER KAO CORP (JP) 2021-06-02 EP disclosed
US-10870643-B2 Method for manufacturing 1,3-dioxane-5-one KAO CORPORATION (JP) 2020-12-22 US disclosed
US-10870643-B2 Method for manufacturing 1,3-dioxane-5-one KAO CORPORATION (JP) 2020-12-22 US disclosed
US-10829482-B2 Method for producing glyceric acid ester KAO CORPORATION (JP) 2020-11-10 US disclosed
US-10829482-B2 Method for producing glyceric acid ester KAO CORPORATION (JP) 2020-11-10 US disclosed
US-10822329-B2 Method for producing glyceric acid ester KAO CORPORATION (JP) 2020-11-03 US disclosed
US-10822329-B2 Method for producing glyceric acid ester KAO CORPORATION (JP) 2020-11-03 US disclosed
US-10710990-B2 2020-07-14 US disclosed
US-10710990-B2 2020-07-14 US disclosed
US-20200087290-A1 METHOD FOR PRODUCING GLYCERIC ACID ESTER KAO CORPORATION (JP) 2020-03-19 US disclosed
EP-3564228-A1 METHOD FOR MANUFACTURING 1,3-DIOXANE-5-ONE Kao Corporation (JP) 2019-11-06 EP disclosed
EP-3564227-A1 METHOD FOR PRODUCING GLYCERIC ACID ESTER Kao Corporation (JP) 2019-11-06 EP disclosed
EP-3564226-A1 METHOD FOR PRODUCING GLYCERIC ACID ESTER Kao Corporation (JP) 2019-11-06 EP disclosed
US-20190330173-A1 METHOD FOR MANUFACTURING 1,3-DIOXANE-5-ONE KAO CORPORATION (JP) 2019-10-31 US disclosed
US-20190330173-A1 METHOD FOR MANUFACTURING 1,3-DIOXANE-5-ONE KAO CORPORATION (JP) 2019-10-31 US disclosed
US-20190322654-A1 METHOD FOR PRODUCING GLYCERIC ACID ESTER KAO CORPORATION (JP) 2019-10-24 US disclosed
US-20190322654-A1 METHOD FOR PRODUCING GLYCERIC ACID ESTER KAO CORPORATION (JP) 2019-10-24 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 (7 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-20190330173-A1 METHOD FOR MANUFACTURING 1,3-DIOXANE-5-ONE AOX1, HAO2, HAO1 TP53 4667/4885CYP3A4 199/4885ALDH1A1 134/4885
US-10822329-B2 Method for producing glyceric acid ester GK, GRHPR, DGAT1 TP53 4173/4885CYP3A4 730/4885ALDH1A1 847/4885
US-20200087290-A1 METHOD FOR PRODUCING GLYCERIC ACID ESTER GK, GRHPR, DGAT1 TP53 4173/4885CYP3A4 730/4885ALDH1A1 847/4885
US-10870643-B2 Method for manufacturing 1,3-dioxane-5-one AOX1, HAO2, DUOX1 TP53 4605/4885CYP3A4 198/4885ALDH1A1 124/4885
US-10710990-B2 CBR1, POR, CYP11B1 TP53 4175/4885CYP3A4 341/4885ALDH1A1 767/4885
US-20190322654-A1 METHOD FOR PRODUCING GLYCERIC ACID ESTER GRHPR, HAO2, POR TP53 4083/4885CYP3A4 379/4885ALDH1A1 793/4885
US-10829482-B2 Method for producing glyceric acid ester GRHPR, HAO2, POR TP53 4083/4885CYP3A4 379/4885ALDH1A1 793/4885

“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.