SCHEMBL2239528

SCHEMBL2239528

O=C1NC(=O)c2cc(C(=O)Oc3ccccc3)c(C(=O)Oc3ccccc3)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.53
▸ KDM4E B2RXH2 4/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ MAOB P27338 4/20 0.51
▸ MAOA P21397 3/20 0.51
▸ HPGD P15428 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ LMNA P02545 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NR4A2 P43354 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ TBXA2R P21731 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ PDE4A P27815 1/20 0.47

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
SCHEMBL2244159 0.82 MAOA (0.55) MAPTTDP1MAOBMAOAHPGD
SCHEMBL347898 0.81 HSD17B10 (0.67) MAPTKDM4ETDP1HPGDHSD17B10
SCHEMBL28137661 0.81 KDM4E (0.55) MAPTKDM4ETDP1HPGDHSD17B10
SCHEMBL2241215 0.78 HSD17B10 (0.50) MAPTKDM4ETDP1HPGDHSD17B10
SCHEMBL71106 0.77 MAPT (0.69) MAPTKDM4ETDP1HPGDHSD17B10
SCHEMBL11770454 0.76 HSD17B10 (0.60) MAPTKDM4ETDP1HPGDHSD17B10
SCHEMBL11774177 0.76 HSD17B10 (0.60) MAPTKDM4ETDP1HPGDHSD17B10
SCHEMBL7197149 0.76 MAOA (0.59) MAPTTDP1MAOBMAOAHPGD
SCHEMBL27566769 0.75 HSD17B10 (0.70) MAPTKDM4ETDP1HPGDHSD17B10
SCHEMBL69868 0.75 HSD17B10 (0.76) MAPTKDM4ETDP1HPGDHSD17B10

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-7994330-B2 Oxidizing p-xylene to terephthalic acid using a catalyst having a dicarboximide skeleton; hydrothermally treating the product with hot water, decomposing and removing catalyst impurities DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2011-08-09 — — US disclosed
US-20080171881-A1 Method for Producing Organic Compound and Method for Decomposing Compound Having Dicarboximide Skeleton DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2008-07-17 — — US disclosed
EP-1870394-A1 METHOD FOR PRODUCING ORGANIC COMPOUND AND METHOD FOR DECOMPOSING COMPOUND HAVING DICARBOXYIMIDE SKELETON Daicel Chemical Industries, Ltd. (JP) 2007-12-26 — — 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-20080171881-A1 Method for Producing Organic Compound and Method for Decomposing Compound Having Dicarboximide Skeleton DHPS, OGDH, MCCC2 MAPT 1073/4885KDM4E 1422/4885TDP1 2202/4885

“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.

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