SCHEMBL178758

SCHEMBL178758

O=C(O)CCCCCCCCCCNC(=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
SCHEMBL178890 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
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 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260070945-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2026-03-12 US disclosed
EP-4526323-A1 MACROCYCLIC IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2025-03-26 EP disclosed
CN-116622005-B Polymer prodrug compound and preparation method thereof, and polymer prodrug micelle and preparation method thereof 成都中医药大学 2025-02-14 CN disclosed
US-11952434-B2 Immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2024-04-09 US disclosed
WO-2024059472-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-03-21 WO disclosed
WO-2023225661-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-23 WO disclosed
CN-112851755-B Linear lipopeptide compound and preparation method and application thereof 中国人民解放军军事科学院军事医学研究院 2023-09-01 CN disclosed
CN-116622005-A Polymer prodrug compound and preparation method thereof, and polymer prodrug micelle and preparation method thereof 成都普康生物科技有限公司 2023-08-22 CN disclosed
US-11623009-B2 Bone fracture repair by targeting of agents that promote bone healing PURDUE RESEARCH FOUNDATION (US) 2023-04-11 US disclosed
US-20230101323-A1 IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-03-30 US disclosed
US-6858591-B2 Antibiotic AA 896 analogs WYETH HOLDINGS CORPORATION (US) 2005-02-22 US disclosed
US-6803384-B2 FOR THERAPY OF REPERFUSION INJURY HOFFMANN-LA ROCHE INC. 2004-10-12 US disclosed
WO-2004009134-A1 PROCEDURES OF CELLULAR LABELLING WITH PARAMAGNETIC COMPLEXES FOR MRI APPLICATIONS BRACCO IMAGING S.P.A. (IT) 2004-01-29 WO disclosed
US-20040009995-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-01-15 US disclosed
WO-2003099805-A1 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-12-04 WO disclosed
US-20030087874-A1 2-amino-3-hydroxy-3-uridyl-propanoic acid ester derivatives AMERICAN CYANAMID COMPANY 2003-05-08 US disclosed
WO-2002086139-A1 ANTIBIOTIC AA 896 ANALOGS WYETH HOLDINGS CORPORATION (US) 2002-10-31 WO disclosed
US-6331640-B1 TREATMENT OF REPERFUSION INJURIES HOFFMANN-LA ROCHE INC. 2001-12-18 US disclosed
EP-0831922-A2 IMPROVED PHARMACEUTICAL COMPOSITIONS FOR GENE THERAPY Therexsys Limited (GB) 1998-04-01 EP disclosed
WO-1996041606-A2 IMPROVED PHARMACEUTICAL COMPOSITIONS FOR GENE THERAPY THEREXSYS LIMITED (GB) 1996-12-27 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 (6 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-11952434-B2 Immunomodulators CD74, ICOS, HAVCR2 KMT2A 3513/4885HTT 4618/4885EPHX2 2816/4885
US-20040009995-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions C5, C9, C1R KMT2A 4508/4885HTT 548/4885EPHX2 1777/4885
US-20230101323-A1 IMMUNOMODULATORS CD74, ICOS, HAVCR2 KMT2A 3513/4885HTT 4618/4885EPHX2 2816/4885
US-20260070945-A1 MACROCYCLIC IMMUNOMODULATORS CD274, PDCD1, PDCD1LG2 KMT2A 1528/4885HTT 3611/4885EPHX2 3786/4885
US-11623009-B2 Bone fracture repair by targeting of agents that promote bone healing CTSK, CTSG, MMP13 KMT2A 4423/4885HTT 4869/4885EPHX2 1839/4885
US-20030087874-A1 2-amino-3-hydroxy-3-uridyl-propanoic acid ester derivatives UMPS, METTL3, FPR3 KMT2A 3211/4885HTT 1134/4885EPHX2 1523/4885

“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.