SCHEMBL2516837

SCHEMBL2516837

O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3nnn[nH]3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 5/20 0.46
▸ CYCS P99999 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ RXRA P19793 3/20 0.39
▸ RXRB P28702 3/20 0.39
▸ CHEK2 O96017 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ MKNK1 Q9BUB5 1/20 0.36
▸ MKNK2 Q9HBH9 1/20 0.36
▸ AURKA O14965 1/20 0.36
▸ TPX2 Q9ULW0 1/20 0.36
▸ KMO O15229 1/20 0.36

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
SCHEMBL2513559 0.90 ALOX15 (0.36) DHODHCYCSKDM4EALDH1A1
SCHEMBL733156 0.88 DHODH (0.49) DHODHKDM4EALDH1A1EGFRKMO
SCHEMBL2513525 0.87 EGFR (0.47) KDM4EALDH1A1RXRARXRBEGFR
SCHEMBL3654429 0.87 DHODH (0.50) DHODHKDM4EALDH1A1RXRARXRB
SCHEMBL3652199 0.87 CTRC (0.47) DHODHRXRARXRBCHEK2AURKA
SCHEMBL2819906 0.86 KDM4E (0.50) KDM4EALDH1A1MKNK1MKNK2
SCHEMBL28489775 0.85 KDM4E (0.49) KDM4EALDH1A1MKNK1MKNK2
SCHEMBL3650536 0.83 ALPL (0.48) KDM4EALDH1A1RXRACHEK2
SCHEMBL2512905 0.82 KDM4E (0.48) KDM4EALDH1A1EGFR
SCHEMBL9341821 0.82 MEN1 (0.50) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116925378-A CuIn-MOF metal organic framework material, preparation method thereof and application thereof in adsorbing carbon dioxide 吉林大学 2023-10-24 — — CN claimed
CN-113689918-A Method for predicting performance of metal organic framework material in catalyzing carbon dioxide 北京工业大学 2021-11-23 — — CN claimed
CN-119591889-A Preparation method and application of amino-functionalized metal-organic framework material 华南理工大学 2025-03-11 — — CN disclosed
CN-117924720-A Flexible calcium-based metal organic framework material MCF-58, preparation method thereof and application thereof in alcohol/benzene azeotrope separation 中山大学 2024-04-26 — — CN disclosed
CN-116925378-A CuIn-MOF metal organic framework material, preparation method thereof and application thereof in adsorbing carbon dioxide 吉林大学 2023-10-24 — — CN disclosed
CN-113689918-A Method for predicting performance of metal organic framework material in catalyzing carbon dioxide 北京工业大学 2021-11-23 — — CN disclosed
CN-107552006-B Porous solid supported metal-based ionic liquid for enriching HCl gas 浙江工业大学 2021-04-06 — — CN disclosed
US-8034952-B2 Supramolecular assemblies and building blocks UNIVERSITY OF SOUTH FLORIDA (US) 2011-10-11 — — US disclosed
US-8034952-B2 Supramolecular assemblies and building blocks UNIVERSITY OF SOUTH FLORIDA (US) 2011-10-11 — — US disclosed
US-8034952-B2 Supramolecular assemblies and building blocks UNIVERSITY OF SOUTH FLORIDA (US) 2011-10-11 — — US disclosed
US-20090143596-A1 Supramolecular Assemblies and Building Blocks UNIVERSITY OF SOUTH FLORIDA (US) 2009-06-04 — — US disclosed
US-20090143596-A1 Supramolecular Assemblies and Building Blocks UNIVERSITY OF SOUTH FLORIDA (US) 2009-06-04 — — US disclosed
US-20090143596-A1 Supramolecular Assemblies and Building Blocks UNIVERSITY OF SOUTH FLORIDA (US) 2009-06-04 — — 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-20090143596-A1 Supramolecular Assemblies and Building Blocks TERB1, TBCB, PARG DHODH 2904/4885CYCS 1210/4885KDM4E 3595/4885

“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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