SCHEMBL1594769

SCHEMBL1594769

NCCOCCOCCOCCOCCOCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
CTH P32929 2/20 0.42
CBS P35520 1/20 0.42
THPO P40225 1/20 0.42
THRB P10828 3/20 0.40
BLM P54132 3/20 0.38
HSD17B10 Q99714 2/20 0.38
PMP22 Q01453 1/20 0.38
GLRA1 P23415 1/20 0.36
SLC6A9 P48067 1/20 0.36
OR51E2 Q9H255 1/20 0.36
LMNA P02545 3/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
GABRR3 A8MPY1 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
HDAC3 O15379 1/20 0.35
GABBR2 O75899 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL28386959 1.00 TSHR (0.42) TSHRCTHCBSTHPOTHRB
SCHEMBL22806980 1.00 TSHR (0.42) TSHRCTHCBSTHPOTHRB
SCHEMBL26111100 1.00 TSHR (0.42) TSHRCTHCBSTHPOTHRB
SCHEMBL13599228 1.00 TSHR (0.42) TSHRCTHCBSTHPOTHRB
SCHEMBL1170690 1.00 TSHR (0.42) TSHRCTHCBSTHPOTHRB
SCHEMBL60430 1.00 TSHR (0.42) TSHRCTHCBSTHPOTHRB
SCHEMBL164253 1.00 TSHR (0.42) TSHRCTHCBSTHPOTHRB
Hydrochloric Acid SCHEMBL9788713 0.98 THRB (0.44) TSHRCTHCBSTHPOTHRB
Hydrochloric Acid SCHEMBL17941286 0.98 THRB (0.44) TSHRCTHCBSTHPOTHRB
SCHEMBL303946 0.95

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4043447-B1 HALOGENATED TETRACYCLIC TRITERPENE DERIVATIVE, PREPARATION AND APPLICATION THEREOF SHANGHAI QINGDONG BIOTECHNOLOGY CO LTD (CN) 2026-01-21 EP disclosed
CN-116390742-A Cyclic chemokine-9 derivatives 拜耳公司 2023-07-04 CN disclosed
EP-4043447-A1 HALOGENATED TETRACYCLIC TRITERPENE DERIVATIVE, PREPARATION AND APPLICATION THEREOF Shanghai King-X Biotech Co., Ltd. (CN) 2022-08-17 EP disclosed
US-20220177511-A1 SERIES OF HALOGENATED TETRACYCLIC TRITERPENE DERIVATIVES AND THEIR PREPARATION AND APPLICATION Shanghai Qingdong Biotechnology Co., Ltd. (CN) 2022-06-09 US disclosed
US-20130280746-A1 PEPTIDE-LIPID CONSTRUCTS AND THEIR USE IN DIAGNOSTIC AND THERAPEUTIC APPLICATIONS KODE BIOTECH LIMITED (NZ) 2013-10-24 US disclosed
US-20130280746-A1 PEPTIDE-LIPID CONSTRUCTS AND THEIR USE IN DIAGNOSTIC AND THERAPEUTIC APPLICATIONS KODE BIOTECH LIMITED (NZ) 2013-10-24 US disclosed
US-8394594-B2 Peptide-lipid constructs and their use in diagnostic and therapeutic applications KODE BIOTECH LIMITED (NZ) 2013-03-12 US disclosed
US-8394594-B2 Peptide-lipid constructs and their use in diagnostic and therapeutic applications KODE BIOTECH LIMITED (NZ) 2013-03-12 US disclosed
US-20110171666-A1 PEPTIDE-LIPID CONSTRUCTS AND THEIR USE IN DIAGNOSTIC AND THERAPEUTIC APPLICATIONS KODE BIOTECH LIMITED (NZ) 2011-07-14 US disclosed
US-20110171666-A1 PEPTIDE-LIPID CONSTRUCTS AND THEIR USE IN DIAGNOSTIC AND THERAPEUTIC APPLICATIONS KODE BIOTECH LIMITED (NZ) 2011-07-14 US disclosed
US-20080176341-A1 Method for Suppressing Intermolecular Nonspecific Interaction and for Intensifying Intermolecular Specific Interaction on Metal Surface REVERSE PROTEMICS RESEARCH INSTITUTE CO., LTD. (JP) 2008-07-24 US disclosed
US-20060177943-A1 Method of inhibiting nonspecific interaction between molecules on solid phase support REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2006-08-10 US disclosed
EP-1553412-A1 METHOD OF INHIBITING NONSPECIFIC INTERACTION BETWEEN MOLECULES ON SOLID PHASE SUPPORT Reverse Proteomics Research Institute Co., Ltd (JP) 2005-07-13 EP disclosed
US-6197299-B1 TARGET CELL IS CONTACTED WITH A TARGET CELL LYSIS EFFECTIVE AMOUNT OF A SOLUBLE MONOCLONAL ANTIBODY OR FRAGMENT CONJUGATE COVALENTLY LINKED BY PEPTIDE BOND LINKAGE TO A SUPERANTIGEN FOR THE LYSIS OF A TARGET CELL BY ASSISTANCE OF LYMPHOCYTES PHARMACIA & UPJOHN AB (SE) 2001-03-06 US disclosed
US-5858363-A WHEREIN ANTIBODY IS SPECIFIC FOR CELL SURFACE STRUCTURE AND SUPERANTIGEN IS CAPABLE OF ACTIVATING CYTOTOXIC T-CELLS PHARMACIA & UPJOHN AB (IT) 1999-01-12 US disclosed
EP-0610179-B1 TARGET SPECIFIC ANTIBODY-SUPERANTIGEN CONJUGATES AND THEIR PREPARATION PHARMACIA AB (SE) 1996-10-16 EP disclosed
EP-0610179-A1 TARGET SPECIFIC ANTIBODY-SUPERANTIGEN CONJUGATES AND THEIR PREPARATION. KABI PHARMACIA AB (SE) 1994-08-17 EP disclosed
EP-0540612-A1 HETEROBIFUNCTIONAL REAGENTS AND CONJUGATES WITH OXAALKYLENE UNITS FOR AMPHIPHILIC BRIDGE STRUCTURES Pharmacia AB (SE) 1993-05-12 EP disclosed
WO-1992001470-A1 TARGET SPECIFIC ANTIBODY-SUPERANTIGEN CONJUGATES AND THEIR PREPARATION KABI PHARMACIA AB (SE) 1992-02-06 WO disclosed
WO-1992001474-A1 HETEROBIFUNCTIONAL REAGENTS AND CONJUGATES WITH OXAALKYLENE UNITS FOR AMPHIPHILIC BRIDGE STRUCTURES KABI PHARMACIA AB (SE) 1992-02-06 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 (2 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-20220177511-A1 SERIES OF HALOGENATED TETRACYCLIC TRITERPENE DERIVATIVES AND THEIR PREPARATION AND APPLICATION AGTR1, VIP, AGT TSHR 45/4885CTH 673/4885CBS 1755/4885
US-20060177943-A1 Method of inhibiting nonspecific interaction between molecules on solid phase support CD2BP2, CD14, SPR TSHR 1141/4885CTH 1425/4885CBS 3155/4885

“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.