SCHEMBL3213638

SCHEMBL3213638

O=C(OCOC(=O)c1cc(O)cc2ccccc12)c1cc(O)cc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 4/20 0.58
NQO2 P16083 1/20 0.47
KDM4E B2RXH2 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 1/20 0.42
MPI P34949 1/20 0.42
POLB P06746 2/20 0.41
GPR35 Q9HC97 1/20 0.41
HSD17B10 Q99714 1/20 0.40
GAA P10253 1/20 0.40
CCR6 P51684 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL11059126 0.87 CDC25B (0.60) CDC25BKDM4EALDH1A1HSD17B10GAA
SCHEMBL600272 0.84 CDC25B (0.58) CDC25BNQO2KDM4EKMT2AALDH1A1
SCHEMBL9297358 0.81 CDC25B (0.55) CDC25BNQO2KDM4EKMT2AALDH1A1
SCHEMBL5315678 0.81 KDM4E (0.58) CDC25BNQO2KDM4EKMT2AALDH1A1
SCHEMBL11156602 0.80 ALDH1A1 (0.62) KDM4EALDH1A1MAPTPOLBHSD17B10
SCHEMBL20127262 0.79 CDC25B (0.61) CDC25BKDM4EKMT2AALDH1A1MAPT
SCHEMBL6266475 0.79 CDC25B (0.56) CDC25BNQO2KDM4EKMT2AALDH1A1
SCHEMBL27695227 0.78 CA12 (0.55) CDC25BNQO2KDM4EKMT2AALDH1A1
SCHEMBL30876155 0.77 CDC25B (0.59) CDC25BKDM4EKMT2AALDH1A1MEN1
SCHEMBL30826563 0.77 CDC25B (0.59) CDC25BKDM4EKMT2AALDH1A1MEN1

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240166601-A1 NLRX1 LIGANDS LANDOS BIOPHARMA, INC. (US) 2024-05-23 US disclosed
US-20240024276-A1 COMPOSITIONS AND METHODS FOR IMPROVING CARDIAC STRUCTURE AND/OR FUNCTION WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2024-01-25 US disclosed
US-11813239-B2 Compositions and methods for improving cardiac structure and/or function WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2023-11-14 US disclosed
US-20230310400-A9 SYNTHESIS OF SMALL MOLECULE HISTONE DEACETYLASE 6 DEGRADERS, COMPOUNDS FORMED THEREBY, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-10-05 US disclosed
EP-4212513-A1 1,3,5-TRIS(6-METHYLPYRIDIN-2-YLOXY)BENZENE DERIVATIVES AND RELATED COMPOUNDS AS NLRX1 LIGANDS FOR TREATING INFLAMMATORY DISEASES LANDOS BIOPHARMA, INC. (US) 2023-07-19 EP disclosed
US-11680045-B2 NLRX1 ligands LANDOS BIOPHARMA, INC. (US) 2023-06-20 US disclosed
EP-3793979-B1 1,3,5-TRIS(6-METHYLPYRIDIN-2-YLOXY)BENZENE DERIVATIVES AND RELATED COMPOUNDS AS NLRX1 LIGANDS FOR TREATING INFLAMMATORY DISEASES LANDOS BIOPHARMA INC (US) 2022-12-14 EP disclosed
US-20210322398-A1 SYNTHESIS OF SMALL MOLECULE HISTONE DEACETYLASE 6 DEGRADERS, COMPOUNDS FORMED THEREBY, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM WISCONSIN ALUMNI RES FOUND (US) 2021-10-21 US disclosed
US-20210309610-A1 NLRX1 LIGANDS LANDOS BIOPHARMA, INC. (US) 2021-10-07 US disclosed
US-20210251938-A1 COMPOSITIONS AND METHODS FOR IMPROVING CARDIAC STRUCTURE AND/OR FUNCTION WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2021-08-19 US disclosed
US-20180065945-A1 SYNTHESIS OF NOVEL ANALOGS OF DIPTOINDONESIN G, COMPOUNDS FORMED THEREBY, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2018-03-08 US disclosed
US-9416156-B2 Method of making biologically active alpha-beta peptides WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2016-08-16 US disclosed
EP-2337788-B1 METHOD OF MAKING BIOLOGICALLY ACTIVE ALPHA-BETA PEPTIDES WISCONSIN ALUMNI RES FOUND (US) 2016-03-23 EP disclosed
US-20160039754-A1 SYNTHESIS OF DIINDOLYLMETHANES AND INDOLO[3,2-B]CARBAZOLES, COMPOUNDS FORMED THEREBY, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-11 US disclosed
US-20140315791-A1 METHOD OF MAKING BIOLOGICALLY ACTIVE ALPHA-BETA PEPTIDES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-10-23 US disclosed
US-8642536-B2 Method of making biologically active alpha-beta peptides WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-02-04 US disclosed
US-20130177981-A1 METHOD OF MAKING BIOLOGICALLY ACTIVE ALPHA-BETA PEPTIDES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-07-11 US disclosed
US-20100234393-A1 USE OF A VASOPEPTIDASE INHIBITOR FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION BIOPROJET (FR) 2010-09-16 US disclosed
US-20100099185-A1 METHOD OF MAKING BIOLOGICALLY ACTIVE ALPHA-BETA PEPTIDES LONGEVITY BIOTECH, INC. 2010-04-22 US disclosed
US-20070225268-A1 METHOD TO TREAT NEOPLASMS VIA GADOLINIUM STEREOTACTIC SYNCHROTRON RADIATION FOUNDATION, WISCONSIN ALUMNI RESEARCH 2007-09-27 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 (14 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-20210322398-A1 SYNTHESIS OF SMALL MOLECULE HISTONE DEACETYLASE 6 DEGRADERS, COMPOUNDS FORMED THEREBY, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HDAC1, HDAC6, HDAC3 CDC25B 2650/4885NQO2 2840/4885KDM4E 179/4885
US-11680045-B2 NLRX1 ligands NLRP1, NLRP3, NOD1 CDC25B 4524/4885NQO2 4194/4885KDM4E 3352/4885
US-20210251938-A1 COMPOSITIONS AND METHODS FOR IMPROVING CARDIAC STRUCTURE AND/OR FUNCTION SDHA, SDHB, CS CDC25B 520/4885NQO2 404/4885KDM4E 3054/4885
US-20210309610-A1 NLRX1 LIGANDS NLRP1, NLRP3, NOD1 CDC25B 4524/4885NQO2 4194/4885KDM4E 3352/4885
US-20070225268-A1 METHOD TO TREAT NEOPLASMS VIA GADOLINIUM STEREOTACTIC SYNCHROTRON RADIATION GDA, UNG, GDI1 CDC25B 2559/4885NQO2 2217/4885KDM4E 2362/4885
US-20240166601-A1 NLRX1 LIGANDS NLRP1, NLRP3, NOD1 CDC25B 4524/4885NQO2 4194/4885KDM4E 3352/4885
US-11813239-B2 Compositions and methods for improving cardiac structure and/or function SDHA, SDHB, CS CDC25B 520/4885NQO2 404/4885KDM4E 3054/4885
US-20180065945-A1 SYNTHESIS OF NOVEL ANALOGS OF DIPTOINDONESIN G, COMPOUNDS FORMED THEREBY, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HPGDS, DPP7, DPEP1 CDC25B 284/4885NQO2 418/4885KDM4E 3016/4885
US-20160039754-A1 SYNTHESIS OF DIINDOLYLMETHANES AND INDOLO[3,2-B]CARBAZOLES, COMPOUNDS FORMED THEREBY, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLP1R, GIPR, INSR CDC25B 2773/4885NQO2 4114/4885KDM4E 2736/4885
US-20230310400-A9 SYNTHESIS OF SMALL MOLECULE HISTONE DEACETYLASE 6 DEGRADERS, COMPOUNDS FORMED THEREBY, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HDAC1, HDAC6, HDAC3 CDC25B 2650/4885NQO2 2840/4885KDM4E 179/4885
US-20100099185-A1 METHOD OF MAKING BIOLOGICALLY ACTIVE ALPHA-BETA PEPTIDES IAPP, RNPEP, PTMA CDC25B 2278/4885NQO2 3955/4885KDM4E 4836/4885
US-20140315791-A1 METHOD OF MAKING BIOLOGICALLY ACTIVE ALPHA-BETA PEPTIDES IAPP, RNPEP, PTMA CDC25B 2278/4885NQO2 3955/4885KDM4E 4836/4885
US-20130177981-A1 METHOD OF MAKING BIOLOGICALLY ACTIVE ALPHA-BETA PEPTIDES IAPP, RNPEP, PTMA CDC25B 2278/4885NQO2 3955/4885KDM4E 4836/4885
US-20240024276-A1 COMPOSITIONS AND METHODS FOR IMPROVING CARDIAC STRUCTURE AND/OR FUNCTION SDHA, SDHB, CS CDC25B 520/4885NQO2 404/4885KDM4E 3054/4885

“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.