SCHEMBL20907331

SCHEMBL20907331

O=C1OC2(c3ccc(O)cc3Oc3c2ccc(O)c3I)c2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 8/20 0.73
MEN1 O00255 5/20 0.73
KMT2A Q03164 5/20 0.73
MAPT P10636 5/20 0.73
TDP1 Q9NUW8 4/20 0.73
RECQL P46063 2/20 0.73
BLM P54132 2/20 0.73
ACE2 Q9BYF1 2/20 0.73
HTT P42858 2/20 0.73
PRMT1 Q99873 2/20 0.73
HPGD P15428 2/20 0.73
CYP2C19 P33261 1/20 0.73
SMAD3 P84022 1/20 0.73
GNG2 P59768 1/20 0.58
GNB1 P62873 1/20 0.58
USP2 O75604 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
THRB P10828 1/20 0.57
CDK2 P24941 1/20 0.57
CHAT P28329 1/20 0.57

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
SCHEMBL5155525 0.90 FTO (0.57) FTOMEN1KMT2AMAPTTDP1
SCHEMBL31326016 0.88 FTO (0.76) FTOMEN1KMT2AMAPTTDP1
SCHEMBL29379080 0.88 GNG2 (0.74) FTOMEN1KMT2AMAPTTDP1
SCHEMBL112918 0.88 GNG2 (0.74) FTOMEN1KMT2AMAPTTDP1
SCHEMBL5364186 0.87 MEN1 (0.62) FTOMEN1KMT2AMAPTTDP1
SCHEMBL5066567 0.87 FTO (0.74) FTOMEN1KMT2AMAPTTDP1
SCHEMBL3182615 0.86 GNG2 (0.72) FTOMEN1KMT2AMAPTTDP1
SCHEMBL3182620 0.86 GNG2 (0.72) FTOMEN1KMT2AMAPTTDP1
SCHEMBL5363085 0.86 MEN1 (0.78) FTOMEN1KMT2AMAPTTDP1
SCHEMBL8607854 0.86 FTO (0.73) FTOMEN1KMT2AMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11561155-B2 Heavy metal ion-hematein-complexes useful as ex vivo contrast agent for a computed tomography scanning of a biological sample, ex vivo method for investigating a biological sample, and use of the complexes Technische Universität München (DE) 2023-01-24 US disclosed
US-20210371436-A1 NOVEL HEAVY METAL ION-LIGAND-COMPLEXES USEFUL AS EX VIVO CONTRAST AGENT FOR A COMPUTED TOMOGRAPHY SCANNING OF A BIOLOGICAL SAMPLE, EX VIVO METHOD FOR INVESTIGATING A BIOLOGICAL SAMPLE, AND USE OF THE COMPLEXES Technische Universität München (DE) 2021-12-02 US disclosed
US-20200271554-A1 NOVEL HEAVY METAL ION-HEMATEIN-COMPLEXES USEFUL AS EX VIVO CONTRAST AGENT FOR A COMPUTED TOMOGRAPHY SCANNING OF A BIOLOGICAL SAMPLE, EX VIVO METHOD FOR INVESTIGATING A BIOLOGICAL SAMPLE, AND USE OF THE COMPLEXES Technische Universität München (DE) 2020-08-27 US disclosed
WO-2019073064-A1 NOVEL HEAVY METAL ION-HEMATEIN-COMPLEXES USEFUL AS EX VIVO CONTRAST AGENT FOR A COMPUTED TOMOGRAPHY SCANNING OF A BIOLOGICAL SAMPLE, EX VIVO METHOD FOR INVESTIGATING A BIOLOGICAL SAMPLE, AND USE OF THE COMPLEXES Technische Universität München (DE) 2019-04-18 WO 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 (3 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-20210371436-A1 NOVEL HEAVY METAL ION-LIGAND-COMPLEXES USEFUL AS EX VIVO CONTRAST AGENT FOR A COMPUTED TOMOGRAPHY SCANNING OF A BIOLOGICAL SAMPLE, EX VIVO METHOD FOR INVESTIGATING A BIOLOGICAL SAMPLE, AND USE OF THE COMPLEXES EDNRB, ELANE, CD68 FTO 3678/4885MEN1 738/4885KMT2A 2849/4885
US-11561155-B2 Heavy metal ion-hematein-complexes useful as ex vivo contrast agent for a computed tomography scanning of a biological sample, ex vivo method for investigating a biological sample, and use of the complexes SERPINC1, CD63, CD68 FTO 4588/4885MEN1 92/4885KMT2A 3751/4885
US-20200271554-A1 NOVEL HEAVY METAL ION-HEMATEIN-COMPLEXES USEFUL AS EX VIVO CONTRAST AGENT FOR A COMPUTED TOMOGRAPHY SCANNING OF A BIOLOGICAL SAMPLE, EX VIVO METHOD FOR INVESTIGATING A BIOLOGICAL SAMPLE, AND USE OF THE COMPLEXES SERPINC1, CD63, CD68 FTO 4620/4885MEN1 121/4885KMT2A 3687/4885

“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.