SCHEMBL524835

SCHEMBL524835

NCCCCCC(C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
TLR2 O60603 4/20 0.46
FABP5 Q01469 3/20 0.44
FABP7 O15540 2/20 0.44
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
EPHX2 P34913 1/20 0.40
MDM4 O15151 1/20 0.39
TP53 P04637 1/20 0.39
CASP3 P42574 2/20 0.39
HTR2A P28223 1/20 0.38

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
SCHEMBL28036073 1.00 KMT2A (0.48) KMT2ATLR2FABP5FABP7HDAC1
SCHEMBL524545 1.00 KMT2A (0.48) KMT2ATLR2FABP5FABP7HDAC1
SCHEMBL3426738 1.00 KMT2A (0.48) KMT2ATLR2FABP5FABP7HDAC1
SCHEMBL3976225 1.00 KMT2A (0.48) KMT2ATLR2FABP5FABP7HDAC1
SCHEMBL525558 1.00 KMT2A (0.48) KMT2ATLR2FABP5FABP7HDAC1
SCHEMBL25144 0.99 KMT2A (0.49) KMT2ATLR2FABP5FABP7HDAC1
SCHEMBL97613 0.95 KMT2A (0.50) KMT2ATLR2FABP5FABP7CA1
Succinic Acid SCHEMBL28760118 0.94 KMT2A (0.50) KMT2ATLR2FABP5FABP7HDAC1
Tetrahydrofuran SCHEMBL28301142 0.91 KMT2A (0.43) KMT2ATLR2FABP5FABP7HDAC1
SCHEMBL31658990 0.90 KMT2A (0.44) KMT2ATLR2FABP5FABP7HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250129125-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2025-04-24 US disclosed
US-12187816-B2 Macrocyclic compounds and methods of use thereof GENENTECH, INC. (US) 2025-01-07 US disclosed
CN-118027136-A Paper-assisted polypeptide integrated green synthesis method 北京中医药大学 2024-05-14 CN disclosed
EP-4168121-A2 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF Genentech, Inc. (US) 2023-04-26 EP disclosed
CN-115702026-A Macrocyclic compounds and methods of use thereof 基因泰克公司 2023-02-14 CN disclosed
EP-4100042-A1 REVERSE AMIDE-LINKED MELANOCORTIN RECEPTOR-SPECIFIC CYCLIC PEPTIDES Palatin Technologies, Inc. (US) 2022-12-14 EP disclosed
US-20220363719-A1 Reverse Amide-Linked Melanocortin Receptor-Specific Cyclic Peptides PALATIN TECHNOLOGIES, INC. (US) 2022-11-17 US disclosed
CN-115279390-A Reverse amide linked melanotropin receptor specific cyclic peptides 帕拉丁科技公司 2022-11-01 CN disclosed
US-20220106361-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2022-04-07 US disclosed
WO-2021262731-A2 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-12-30 WO disclosed
US-8796202-B2 Multi-valent poly-Ubl chain inhibitors and methods of use CITY OF HOPE (US) 2014-08-05 US disclosed
US-20140011734-A1 CYCLIC PEPTIDES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF THE PLATELET ADHESION SANOFI (FR) 2014-01-09 US disclosed
EP-2598157-A1 CYCLIC PEPTIDES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF THE PLATELET ADHESION SANOFI (FR) 2013-06-05 EP disclosed
US-20120302815-A1 MULTI-VALENT POLY-UBL CHAIN INHIBITORS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-29 US disclosed
WO-2012013709-A1 CYCLIC PEPTIDES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF THE PLATELET ADHESION SANOFI (FR) 2012-02-02 WO disclosed
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 US disclosed
US-20040229858-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-18 US disclosed
US-6756378-B2 BENZYL -UREA, -THIOUREA, OR -GUANIDINE DERIVATIVES THAT INHIBIT THE BINDING OF LIGANDS TO ALPHA 4 BETA 1 INTEGRIN (VLA-4) PHARMACOPEIA DRUG DISCOVERY, INC. 2004-06-29 US disclosed
US-20030078249-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-24 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 (9 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-20220106361-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF PAICS, CYCS, LSS KMT2A 2834/4885TLR2 4868/4885FABP5 4000/4885
US-20140011734-A1 CYCLIC PEPTIDES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF THE PLATELET ADHESION F12, F11, F13B KMT2A 4818/4885TLR2 3514/4885FABP5 2630/4885
US-12187816-B2 Macrocyclic compounds and methods of use thereof PAICS, CYCS, LSS KMT2A 2834/4885TLR2 4868/4885FABP5 4000/4885
US-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 KMT2A 1046/4885TLR2 1257/4885FABP5 471/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 KMT2A 735/4885TLR2 1209/4885FABP5 436/4885
US-20250129125-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF PAICS, CYCS, LSS KMT2A 2834/4885TLR2 4868/4885FABP5 4000/4885
US-20120302815-A1 MULTI-VALENT POLY-UBL CHAIN INHIBITORS AND METHODS OF USE UFM1, UBAP2L, SUMO1 KMT2A 935/4885TLR2 3881/4885FABP5 2082/4885
US-20220363719-A1 Reverse Amide-Linked Melanocortin Receptor-Specific Cyclic Peptides MC1R, NPY1R, MC3R KMT2A 2310/4885TLR2 2212/4885FABP5 4169/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 KMT2A 918/4885TLR2 1164/4885FABP5 417/4885

“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.