SCHEMBL4586684

SCHEMBL4586684

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3OC1CC(NNN)C(O)C(C)O1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.81
KMT2A Q03164 9/20 0.81
THRB P10828 8/20 0.81
BLM P54132 7/20 0.81
RECQL P46063 6/20 0.81
BRCA1 P38398 6/20 0.81
TOP2A P11388 5/20 0.81
TDP1 Q9NUW8 5/20 0.81
HIF1A Q16665 5/20 0.81
SMN1; SMN2 Q16637 5/20 0.81
MAPT P10636 4/20 0.81
MAPK1 P28482 4/20 0.81
HTT P42858 4/20 0.81
PTGS1 P23219 3/20 0.81
CHRM1 P11229 3/20 0.81
TBXA2R P21731 3/20 0.81
KDM4E B2RXH2 3/20 0.81
ALDH1A1 P00352 3/20 0.81
ABCB1 P08183 3/20 0.81
STAT6 P42226 3/20 0.81

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
SCHEMBL43830 0.96 MEN1 (0.83) MEN1KMT2ATHRBBLMRECQL
Hydrochloric Acid SCHEMBL1771543 0.95 MEN1 (0.83) MEN1KMT2ATHRBBLMRECQL
Hydrochloric Acid SCHEMBL27900762 0.95 MEN1 (0.83) MEN1KMT2ATHRBBLMRECQL
SCHEMBL272961 0.95 MEN1 (0.83) MEN1KMT2ATHRBBLMRECQL
SCHEMBL22409662 0.94 MEN1 (0.80) MEN1KMT2ATHRBBLMRECQL
Hydrochloric Acid SCHEMBL16318978 0.94 MEN1 (0.84) MEN1KMT2ATHRBBLMRECQL
Doxorubicin SCHEMBL27834123 0.94 MEN1 (0.91) MEN1KMT2ATHRBBLMRECQL
SCHEMBL29048581 0.93 MEN1 (0.79) MEN1KMT2ATHRBBLMRECQL
SCHEMBL147968 0.93 MEN1 (0.79) MEN1KMT2ATHRBBLMRECQL
SCHEMBL29048586 0.93 MEN1 (0.81) MEN1KMT2ATHRBBLMRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112480289-B Core-shell structure type chitosan-based nano prodrug carrying doxorubicin and platinum drugs together, and preparation method and application thereof 西安交通大学 2021-09-07 CN claimed
CN-112480289-A Core-shell structure type chitosan-based nano prodrug carrying doxorubicin and platinum drugs together, and preparation method and application thereof 西安交通大学 2021-03-12 CN claimed
US-20210023017-A1 YEAST CELL WALL PARTICLE ENCAPSULATION OF BIODEGRADABLE PRO-PAYLOADS UNIV MASSACHUSETTS (US) 2021-01-28 US claimed
EP-3765089-A1 YEAST CELL WALL PARTICLE ENCAPSULATION OF BIODEGRADABLE PRO-PAYLOADS University of Massachusetts (US) 2021-01-20 EP claimed
WO-2019178443-A1 YEAST CELL WALL PARTICLE ENCAPSULATION OF BIODEGRADABLE PRO-PAYLOADS UNIVERSITY OF MASSACHUSETTS (US) 2019-09-19 WO claimed
US-20230372534-A1 CONJUGATES OF ACTIVE PHARMACEUTICAL INGREDIENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-11-23 US disclosed
WO-2023129652-A1 METHODS FOR THE CONJUGATION OF ANTHRACYCLINES TO CARBOHYDRATE POLYMERIC CARRIERS NAVIDEA BIOPHARMACEUTICALS, INC. (US) 2023-07-06 WO disclosed
US-20230210998-A1 METHODS FOR THE CONJUGATION OF ANTHRACYCLINES TO CARBOHYDRATE POLYMERIC CARRIERS SCOTT, JOHN KIM, JR. 2023-07-06 US disclosed
WO-2023107574-A2 LIPID-BASED COMPOSITIONS AND METHODS THEREOF THE BRIGHAM AND WOMEN’S HOSPITAL, INC. (US) 2023-06-15 WO disclosed
US-11559585-B2 Conjugates of active pharmaceutical ingredients THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-01-24 US disclosed
US-20220401562-A1 REFILLABLE DRUG DELIVERY DEVICES AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2022-12-22 US disclosed
CN-112480289-B Core-shell structure type chitosan-based nano prodrug carrying doxorubicin and platinum drugs together, and preparation method and application thereof 西安交通大学 2021-09-07 CN disclosed
EP-3125866-A1 REFILLABLE DRUG DELIVERY DEVICES AND METHODS OF USE THEREOF President and Fellows of Harvard College (US) 2017-02-08 EP disclosed
US-20160220686-A1 REFILLABLE DRUG DELIVERY DEVICES AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-08-04 US disclosed
US-20160114046-A1 REFILLABLE DRUG DELIVERY DEVICES AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-04-28 US disclosed
WO-2015154082-A1 REFILLABLE DRUG DELIVERY DEVICES AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-10-08 WO disclosed
EP-1691664-A4 ANTIBODIES AND/OR CONJUGATES THEREOF WHICH BIND TO THE AMINO TERMINAL FRAGMENT OF UROKINASE, COMPOSITIONS AND USES THEREOF ATTENUON LLC (US) 2008-04-30 EP disclosed
EP-1691664-A2 ANTIBODIES AND/OR CONJUGATES THEREOF WHICH BIND TO THE AMINO TERMINAL FRAGMENT OF UROKINASE, COMPOSITIONS AND USES THEREOF Attenuon, LLC (US) 2006-08-23 EP disclosed
US-20050232924-A1 Antibodies and/or conjugates thereof which bind to the amino terminal fragment of urokinase, compositions and uses thereof ATTENUON LLC 2005-10-20 US disclosed
WO-2005048822-A2 ANTIBODIES AND/OR CONJUGATES THEREOF WHICH BIND TO THE AMINO TERMINAL FRAGMENT OF UROKINASE, COMPOSITIONS AND USES THEREOF ATTENUON LLC (US) 2005-06-02 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 (7 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-20230210998-A1 METHODS FOR THE CONJUGATION OF ANTHRACYCLINES TO CARBOHYDRATE POLYMERIC CARRIERS TOP1, ALG1, GNE MEN1 1618/4885KMT2A 2242/4885THRB 4381/4885
US-20160220686-A1 REFILLABLE DRUG DELIVERY DEVICES AND METHODS OF USE THEREOF LDLR, LIPA, ABCB11 MEN1 3323/4885KMT2A 4459/4885THRB 2873/4885
US-11559585-B2 Conjugates of active pharmaceutical ingredients CD47, CD63, TFRC MEN1 973/4885KMT2A 2214/4885THRB 3167/4885
US-20220401562-A1 REFILLABLE DRUG DELIVERY DEVICES AND METHODS OF USE THEREOF LDLR, LIPA, ABCB11 MEN1 3323/4885KMT2A 4459/4885THRB 2873/4885
US-20160114046-A1 REFILLABLE DRUG DELIVERY DEVICES AND METHODS OF USE THEREOF LDLR, LIPA, ABCB11 MEN1 3323/4885KMT2A 4459/4885THRB 2873/4885
US-20050232924-A1 Antibodies and/or conjugates thereof which bind to the amino terminal fragment of urokinase, compositions and uses thereof PLAU, PLAUR, DNPEP MEN1 1542/4885KMT2A 3056/4885THRB 1679/4885
US-20230372534-A1 CONJUGATES OF ACTIVE PHARMACEUTICAL INGREDIENTS CD47, CD63, TFRC MEN1 973/4885KMT2A 2214/4885THRB 3167/4885

“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.