SCHEMBL178890

SCHEMBL178890

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 1.00
HTT P42858 1/20 0.52
EPHX2 P34913 1/20 0.48
CASP3 P42574 2/20 0.46
HTR2C P28335 1/20 0.45
SLC6A3 Q01959 1/20 0.45
MAPK1 P28482 1/20 0.44
FABP7 O15540 1/20 0.44
FABP5 Q01469 1/20 0.44
TLR2 O60603 1/20 0.43
TLR1 Q15399 1/20 0.43

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
SCHEMBL178895 1.00 KMT2A (1.00) KMT2AHTTEPHX2CASP3HTR2C
SCHEMBL25143 1.00 KMT2A (1.00) KMT2AHTTEPHX2CASP3HTR2C
SCHEMBL2182769 1.00 KMT2A (1.00) KMT2AHTTEPHX2CASP3HTR2C
SCHEMBL17746959 1.00 KMT2A (1.00) KMT2AHTTEPHX2CASP3HTR2C
SCHEMBL178762 1.00 KMT2A (1.00) KMT2AHTTEPHX2CASP3HTR2C
SCHEMBL178760 1.00 KMT2A (1.00) KMT2AHTTEPHX2CASP3HTR2C
SCHEMBL178759 1.00 KMT2A (1.00) KMT2AHTTEPHX2CASP3HTR2C
SCHEMBL178761 1.00 KMT2A (1.00) KMT2AHTTEPHX2CASP3HTR2C
SCHEMBL178758 1.00 KMT2A (1.00) KMT2AHTTEPHX2CASP3HTR2C
SCHEMBL178892 1.00 KMT2A (1.00) KMT2AHTTEPHX2CASP3HTR2C

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 35 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-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
CN-1391473-A VLA-4 inhibitor compounds DAIICHI SEIYAKU CO (JP) 2003-01-15 CN disclosed
EP-1226167-A1 MODIFIED PEPTIDES AND PEPTIDOMIMETICS FOR USE IN IMMUNOTHERAPY Akzo Nobel N.V. (NL) 2002-07-31 EP disclosed
WO-2001029081-A1 MODIFIED PEPTIDES AND PEPTIDOMIMETICS FOR USE IN IMMUNOTHERAPY AKZO NOBEL N.V. (NL) 2001-04-26 WO disclosed
EP-0710244-A1 IMMUNOREACTIVE REAGENTS EMPLOYING MONOAMINE OXIDASE THE WELLCOME FOUNDATION LIMITED (GB) 1996-05-08 EP disclosed
WO-1994029333-A1 IMMUNOREACTIVE REAGENTS EMPLOYING MONOAMINE OXIDASE THE WELLCOME FOUNDATION LIMITED (GB) 1994-12-22 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-20220106361-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF PAICS, CYCS, LSS KMT2A 2834/4885HTT 613/4885EPHX2 579/4885
US-12187816-B2 Macrocyclic compounds and methods of use thereof PAICS, CYCS, LSS KMT2A 2834/4885HTT 613/4885EPHX2 579/4885
US-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 KMT2A 1046/4885HTT 4854/4885EPHX2 3515/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 KMT2A 735/4885HTT 4850/4885EPHX2 3415/4885
US-20250129125-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF PAICS, CYCS, LSS KMT2A 2834/4885HTT 613/4885EPHX2 579/4885
US-20220363719-A1 Reverse Amide-Linked Melanocortin Receptor-Specific Cyclic Peptides MC1R, NPY1R, MC3R KMT2A 2310/4885HTT 1040/4885EPHX2 3034/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 KMT2A 918/4885HTT 4846/4885EPHX2 3592/4885

“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.