SCHEMBL8229348

SCHEMBL8229348

CC(C)Cc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.59
SLC6A3 Q01959 1/20 0.59
SLC6A4 P31645 1/20 0.52
AKR1C2 P52895 2/20 0.49
AKR1C1 Q04828 1/20 0.49
MAOB P27338 2/20 0.47
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
FAAH O00519 1/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
PTGS1 P23219 3/20 0.42
PTGS2 P35354 3/20 0.42
LMNA P02545 2/20 0.42
CYP2C9 P11712 2/20 0.42
AKR1C3 P42330 2/20 0.42
CXCR1 P25024 2/20 0.42
CXCR2 P25025 2/20 0.42

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
SCHEMBL764989 0.93 SLC6A2 (0.67) SLC6A2SLC6A3SLC6A4AKR1C2FAAH
SCHEMBL8636154 0.88 MEN1 (0.53) AKR1C2AKR1C1MEN1POLBMAPT
SCHEMBL13719385 0.85 AKR1C2 (0.53) SLC6A2SLC6A3AKR1C2AKR1C1MAOB
SCHEMBL21782941 0.83 SLC6A2 (0.55) SLC6A2SLC6A3SLC6A4MAOBMEN1
SCHEMBL20714984 0.83 SLC6A2 (0.88) SLC6A2SLC6A3SLC6A4
SCHEMBL9771456 0.82 PTGS1 (0.52) AKR1C2AKR1C1MEN1POLBMAPT
SCHEMBL23319649 0.81 MEN1 (0.53) AKR1C2AKR1C1MEN1POLBMAPT
SCHEMBL13719535 0.81 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4MAOBPPARG
SCHEMBL17297763 0.81 TAAR1 (0.62) MAOBALOX5
SCHEMBL1131597 0.80 PTGS1 (0.56) AKR1C2MEN1POLBMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321251-A1 LIPOSOME FORMULATION CONTAINING ANTIBACTERIAL AGENT OSAKA UNIVERSITY (JP) 2023-10-12 US disclosed
US-20230321251-A1 LIPOSOME FORMULATION CONTAINING ANTIBACTERIAL AGENT OSAKA UNIVERSITY (JP) 2023-10-12 US disclosed
US-20230203096-A1 EPHA4 TARGETING COMPOUNDS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-29 US disclosed
US-20230174584-A1 Antibiotic Compounds UNIVERSITEIT LEIDEN (NL) 2023-06-08 US disclosed
US-20230174584-A1 Antibiotic Compounds UNIVERSITEIT LEIDEN (NL) 2023-06-08 US disclosed
US-20230146239-A1 GUANIDINE-MODIFIED C-TERMINUS VANCOMYCIN COMPOUNDS, COMPOSITIONS AND METHODS THE SCRIPPS RESEARCH INSTITUTE (US) 2023-05-11 US disclosed
US-20230146239-A1 GUANIDINE-MODIFIED C-TERMINUS VANCOMYCIN COMPOUNDS, COMPOSITIONS AND METHODS THE SCRIPPS RESEARCH INSTITUTE (US) 2023-05-11 US disclosed
WO-2021217047-A1 EPHA4 TARGETING COMPOUNDS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-10-28 WO disclosed
WO-2021060980-A1 ANTIBIOTIC COMPOUNDS UNIVERSITEIT LEIDEN (NL) 2021-04-01 WO disclosed
US-10577395-B2 N-(hydrophobe-substituted) vancosaminyl [Ψ-[C(=NH) NH] Tpg4] vancomycin and [Ψ-[CH2NH]Tpg4] vancomycin THE SCRIPPS RESEARCH INSTITUTE (US) 2020-03-03 US disclosed
US-20150079618-A1 METHODS AND COMPOUNDS FOR IDENTIFYING GLYCOSYLTRANSFERASE INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-03-19 US disclosed
US-8471024-B2 Tetrahydrofuropyridones MERCK SHARP & DOHME, CORP. (US) 2013-06-25 US disclosed
US-20110136759-A1 MOENOMYCIN ANALOGS, METHODS OF SYNTHESIS, AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-06-09 US disclosed
US-20100331358-A1 TETRAHYDROFUROPYRIDONES MERCK SHARP & DOHME LLC 2010-12-30 US disclosed
WO-2009046314-A2 MOENOMYCIN ANALOGS, METHODS OF SYNTHESIS, AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-04-09 WO disclosed
WO-2007121124-A2 HCV INHIBITORS COMPRISING BETA AMINO ACIDS AND THEIR USES NOVARTIS AG (CH) 2007-10-25 WO disclosed
US-7265086-B2 Glycopeptide carboxy-saccharide derivatives THERAVANCE, INC. (US) 2007-09-04 US disclosed
US-7265086-B2 Glycopeptide carboxy-saccharide derivatives THERAVANCE, INC. (US) 2007-09-04 US disclosed
US-20070042942-A1 Glycopeptide carboxy-saccharide derivatives THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2007-02-22 US disclosed
US-20070042942-A1 Glycopeptide carboxy-saccharide derivatives THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2007-02-22 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-20230321251-A1 LIPOSOME FORMULATION CONTAINING ANTIBACTERIAL AGENT LIPA, LIPG, LIPC SLC6A2 1751/4885SLC6A3 2592/4885SLC6A4 3129/4885
US-20110136759-A1 MOENOMYCIN ANALOGS, METHODS OF SYNTHESIS, AND USES THEREOF MSN, MGAM, NISCH SLC6A2 3988/4885SLC6A3 4101/4885SLC6A4 4388/4885
US-20100331358-A1 TETRAHYDROFUROPYRIDONES HIF1AN, EGLN3, HIF1A SLC6A2 3357/4885SLC6A3 2704/4885SLC6A4 1601/4885
US-10577395-B2 N-(hydrophobe-substituted) vancosaminyl [Ψ-[C(=NH) NH] Tpg4] vancomycin and [Ψ-[CH2NH]Tpg4] vancomycin VNN1, VAC14, RPN1 SLC6A2 720/4885SLC6A3 546/4885SLC6A4 267/4885
US-20070042942-A1 Glycopeptide carboxy-saccharide derivatives CSGALNACT1, FUT6, OGT SLC6A2 3558/4885SLC6A3 2868/4885SLC6A4 2879/4885
US-20230203096-A1 EPHA4 TARGETING COMPOUNDS AND METHODS OF USE THEREOF EPHA4, EPHA1, EPHA5 SLC6A2 1238/4885SLC6A3 1226/4885SLC6A4 481/4885
US-20230146239-A1 GUANIDINE-MODIFIED C-TERMINUS VANCOMYCIN COMPOUNDS, COMPOSITIONS AND METHODS RNMT, RNGTT, CAPG SLC6A2 4671/4885SLC6A3 4299/4885SLC6A4 3961/4885
US-20230174584-A1 Antibiotic Compounds RPN1, STT3B, RPN2 SLC6A2 2334/4885SLC6A3 1860/4885SLC6A4 2763/4885
US-20150079618-A1 METHODS AND COMPOUNDS FOR IDENTIFYING GLYCOSYLTRANSFERASE INHIBITORS MAGT1, GALNT1, NMT1 SLC6A2 1794/4885SLC6A3 1928/4885SLC6A4 2769/4885

“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.