SCHEMBL3476593

SCHEMBL3476593

O=Cc1ccc(-c2c3nc(c(-c4ccc(C=O)cc4)c4ccc([nH]4)c(-c4ccc(C=O)cc4)c4nc(c(-c5ccc(C=O)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.59
▸ CYCS P99999 3/20 0.58
▸ ENPP2 Q13822 1/20 0.56
▸ TERT O14746 5/20 0.53
▸ ABCG2 Q9UNQ0 1/20 0.49

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
SCHEMBL29477148 1.00 TOP1 (0.59) TOP1CYCSENPP2TERTABCG2
SCHEMBL28629714 0.94 TOP1 (0.57) TOP1CYCSENPP2TERTABCG2
SCHEMBL30022815 0.94 TOP1 (0.57) TOP1CYCSENPP2TERTABCG2
SCHEMBL29141456 0.94 TOP1 (0.57) TOP1CYCSENPP2TERTABCG2
SCHEMBL21257046 0.92 TOP1 (0.56) TOP1CYCSENPP2TERTABCG2
SCHEMBL3290035 0.92 TERT (0.53) TOP1CYCSENPP2TERTABCG2
SCHEMBL87873 0.91 TOP1 (0.51) TOP1CYCSENPP2TERTABCG2
SCHEMBL19230051 0.89 TOP1 (0.81) TOP1CYCSENPP2TERTABCG2
SCHEMBL21734341 0.87 TOP1 (0.62) TOP1CYCSENPP2TERTABCG2
SCHEMBL30022904 0.87 ENPP2 (0.80) TOP1CYCSENPP2TERTABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2832767-A1 Method for the Synthesis of Covalent Organic Frameworks Fundación Imdea Nanociencia (ES) 2015-02-04 — — EP claimed
CN-112587676-B Multifunctional cation flexible nano-particles and preparation method and application thereof 中国科学院长春应用化学研究所 2022-02-22 — — CN disclosed
CN-112587676-A Multifunctional cation flexible nano-particles and preparation method and application thereof 中国科学院长春应用化学研究所 2021-04-02 — — CN disclosed
WO-2020034477-A1 POROUS ORGANIC CAGE LIGAND CONTAINING P AND N, PREPARATION THEREFOR AND USE THEREOF 中国科学院大连化学物理研究所 2020-02-20 — — WO disclosed
WO-2020034476-A1 POROUS ORGANIC CAGE LIGAND CONTAINING P AND N AND COMPLEX CATALYST AND APPLICATION 中国科学院大连化学物理研究所 2020-02-20 — — WO disclosed
EP-2832767-A1 Method for the Synthesis of Covalent Organic Frameworks Fundación Imdea Nanociencia (ES) 2015-02-04 — — EP disclosed
EP-2559720-A1 CROSSLINKED COMPOSITION Daicel Corporation (JP) 2013-02-20 — — EP disclosed
US-20130026458-A1 CROSSLINKABLE COMPOSITION DAICEL CORPORATION (JP) 2013-01-31 — — US disclosed
US-20130026458-A1 CROSSLINKABLE COMPOSITION DAICEL CORPORATION (JP) 2013-01-31 — — US disclosed
WO-2010088723-A1 DYE COMPOSITION FOR USE IN PHOTOELECTRIC MATERIAL UNIVERSITY OF WOLLONGONG (AU) 2010-08-12 — — WO disclosed
US-20080283122-A1 Beta-Substituted Porphyrins CAMPBELL WAYNE MASON 2008-11-20 — — 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 (2 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-20080283122-A1 Beta-Substituted Porphyrins PPOX, HMBS, CRY1 TOP1 2190/4885CYCS 225/4885ENPP2 1349/4885
US-20130026458-A1 CROSSLINKABLE COMPOSITION DDC, ODC1, SRM TOP1 3263/4885CYCS 185/4885ENPP2 4790/4885

“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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