SCHEMBL2545104

SCHEMBL2545104

O=C1C=CC(=O)C2C3C=CC(CC3)C12

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
TDP1 Q9NUW8 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
APEX1 P27695 2/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.35
ALDH1A1 P00352 4/20 0.34
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL2543370 0.90 POLB (0.35) POLBTDP1L3MBTL1APEX1RECQL
SCHEMBL2386798 0.83 ALDH1A1 (0.50) POLBTDP1L3MBTL1RECQLKMT2A
SCHEMBL14338369 0.83 ALDH1A1 (0.50) POLBTDP1L3MBTL1RECQLKMT2A
SCHEMBL6125172 0.83 ALDH1A1 (0.50) POLBTDP1L3MBTL1RECQLKMT2A
SCHEMBL20561319 0.77 POLB (0.45) POLBTDP1L3MBTL1APEX1RECQL
SCHEMBL20969078 0.74 ALDH1A1 (0.32) TDP1ALDH1A1
SCHEMBL20969195 0.74 ALDH1A1 (0.32) TDP1ALDH1A1
SCHEMBL449523 0.72 POLB (0.42) POLBTDP1L3MBTL1APEX1RECQL
SCHEMBL431044 0.72 POLB (0.42) POLBTDP1L3MBTL1APEX1RECQL
SCHEMBL23004976 0.71 POLB (0.34) POLBTDP1L3MBTL1APEX1RECQL

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
US-12042788-B2 Strongly Lewis acidic metal-organic frameworks for continuous flow catalysis THE UNIVERSITY OF CHICAGO (US) 2024-07-23 US disclosed
US-20210053042-A1 STRONGLY LEWIS ACIDIC METAL-ORGANIC FRAMEWORKS FOR CONTINUOUS FLOW CATALYSIS NATIONAL SCIENCE FOUNDATION 2021-02-25 US disclosed
US-20210053042-A1 STRONGLY LEWIS ACIDIC METAL-ORGANIC FRAMEWORKS FOR CONTINUOUS FLOW CATALYSIS NATIONAL SCIENCE FOUNDATION 2021-02-25 US disclosed
US-9309231-B2 Bridged ring compounds as hepatitis C virus (HCV) inhibitors and pharmaceutical applications thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-04-12 US disclosed
US-9309231-B2 Bridged ring compounds as hepatitis C virus (HCV) inhibitors and pharmaceutical applications thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-04-12 US disclosed
US-20150079028-A1 Bridged Ring compounds As Hepatitis C Virus (HCV) Inhibitors And Pharmaceutical Applications Thereof SUNSHINE LAKE PHARMA CO., LTD (CN) 2015-03-19 US disclosed
US-20150079028-A1 Bridged Ring compounds As Hepatitis C Virus (HCV) Inhibitors And Pharmaceutical Applications Thereof SUNSHINE LAKE PHARMA CO., LTD (CN) 2015-03-19 US disclosed
EP-2350021-B1 BRIDGED TETRAHYDRONAPHTHALENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-03-20 EP disclosed
US-8314253-B2 Bridged tetrahydronaphthalene derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-11-20 US disclosed
US-20110263648-A1 BRIDGED TETRAHYDRONAPHTHALENE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-10-27 US disclosed
US-7662750-B2 Protein-protein interaction antagonist screening libraries based upon 1,4-disubstituted naphthalenes and related scaffolds THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2010-02-16 US disclosed
US-20050153366-A1 Protein-protein interaction antagonist screening libraries based upon 1,4-disubstituted naphthalenes and related scaffolds NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2005-07-14 US disclosed
US-5422365-A Hydroxy, ether, and/or acyloxy substituted, saturated or partially unsaturated naphthalenes; for controlling insulin secretion ADIR ET COMPAGNIE (FR) 1995-06-06 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 (5 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-20050153366-A1 Protein-protein interaction antagonist screening libraries based upon 1,4-disubstituted naphthalenes and related scaffolds RIPK4, RIPK2, ATRIP POLB 4734/4885TDP1 3151/4885L3MBTL1 2891/4885
US-12042788-B2 Strongly Lewis acidic metal-organic frameworks for continuous flow catalysis CD69, TECR, MCM4 POLB 1804/4885TDP1 4823/4885L3MBTL1 1716/4885
US-20110263648-A1 BRIDGED TETRAHYDRONAPHTHALENE DERIVATIVES CACNA1E, CACNA1B, CACNB1 POLB 3291/4885TDP1 2859/4885L3MBTL1 3412/4885
US-20210053042-A1 STRONGLY LEWIS ACIDIC METAL-ORGANIC FRAMEWORKS FOR CONTINUOUS FLOW CATALYSIS CD69, TECR, MCM4 POLB 1804/4885TDP1 4823/4885L3MBTL1 1716/4885
US-20150079028-A1 Bridged Ring compounds As Hepatitis C Virus (HCV) Inhibitors And Pharmaceutical Applications Thereof SLC10A1, HAVCR2, UGT1A3 POLB 1561/4885TDP1 3830/4885L3MBTL1 4755/4885

“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.