SCHEMBL454606

SCHEMBL454606

C=C(C)C(=O)OCCOc1ccc(OCCOC(=O)C(=C)C)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.67
APEX1 P27695 1/20 0.67
HTT P42858 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
THRB P10828 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.48
TSHR P16473 3/20 0.47
MAPT P10636 3/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 4/20 0.45
PKM P14618 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 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
SCHEMBL11053172 0.95 POLB (0.61) POLBAPEX1HTTTDP1THRB
SCHEMBL4447276 0.95 POLB (0.61) POLBAPEX1HTTTDP1THRB
SCHEMBL14173271 0.95 POLB (0.61) POLBAPEX1HTTTDP1THRB
SCHEMBL24565142 0.93 POLB (0.60) POLBAPEX1HTTTDP1THRB
SCHEMBL4580087 0.93 POLB (0.60) POLBAPEX1HTTTDP1THRB
SCHEMBL649098 0.93 HTT (0.60) POLBAPEX1HTTTDP1THRB
SCHEMBL18927213 0.92 POLB (0.58) POLBAPEX1HTTTDP1THRB
SCHEMBL21490257 0.92 TDP1 (0.58) POLBAPEX1HTTTDP1THRB
SCHEMBL6114963 0.92 POLB (0.58) POLBAPEX1HTTTDP1THRB
SCHEMBL331665 0.92 POLB (0.58) POLBAPEX1HTTTDP1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230137331-A1 Activation and Expansion of T Cell Subsets Using Biocompatible Solid Substrates with Tunable Rigidity UNIV PENNSYLVANIA (US) 2023-05-04 US claimed
US-20150030619-A1 Activation and Expansion of T Cell Subsets Using Biocompatible Solid Substrates with Tunable Rigidity THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-01-29 US claimed
WO-2013036585-A1 ACTIVATION AND EXPANSION OF T CELL SUBSETS USING BIOCOMPATIBLE SOLID SUBSTRATES WITH TUNABLE RIGIDITY THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-03-14 WO claimed
EP-0580726-B2 LOW DENSITY MICROSPHERES AND THEIR USE AS CONTRAST AGENTS FOR COMPUTED TOMOGRAPHY IMARX PHARMACEUTICAL CORP (US) 2008-08-20 EP claimed
US-6998107-B2 Composition comprising low density microspheres BRISTOL-MYERS SQUIBB PHARMA COMAPANY (US) 2006-02-14 US claimed
US-20040223914-A1 Composition comprising low density microspheres BRISTOL-MYERS SQUIBB MEDICAL IMAGING INC. 2004-11-11 US claimed
US-6773696-B2 WHEREIN VOID COMPRISES VAPOR OF VOLATILE LIQUID (ALIPHATIC HYDROCARBONS, CHLOROFLUOROCARBONS, TETRAALKYL SILANES, AND PERFLUOROCARBONS); FOR COMPUTED TOMOGRAPHY IMAGING OF THE GASTROINTESTINAL REGION BRISTOL-MYERS SQUIBB MEDICAL IMAGING, INC. 2004-08-10 US claimed
US-20030053953-A1 Contrast agent comprising low density microspheres LANTHEUS MI REAL ESTATE, LLC 2003-03-20 US claimed
US-6528039-B2 Administering to a patient a contrast medium comprising a homogenous aqueous suspension of low density polymeric microsphere filled with a gas, scanning the patient using computed tomography imaging to obtain visible image of tissue BRISTOL-MYERS SQUIBB MEDICAL IMAGING, INC. 2003-03-04 US claimed
US-20010024639-A1 LOW DENSITY MICROSPHERES AND THEIR USE AS CONTRAST AGENTS FOR COMPUTED TOMOGRAPHY AND IN OTHER APPLICATIONS LANTHEUS HOLDINGS, INC. 2001-09-27 US claimed
EP-0580726-B1 LOW DENSITY MICROSPHERES AND THEIR USE AS CONTRAST AGENTS FOR COMPUTED TOMOGRAPHY IMARX PHARMACEUTICAL CORP (US) 1999-06-02 EP claimed
EP-0804932-A2 Contrast media for diagnostic imaging comprising gas filled microspeures ImaRx Pharmaceutical Corp. (US) 1997-11-05 EP claimed
US-5547656-A Low density microspheres and their use as contrast agents for computed tomography, and in other applications IMARX PHARMACEUTICAL CORP. (US) 1996-08-20 US claimed
US-5527521-A AQUEOUS SUSPENSION OF BIOCOMPATIBLE POLYMER, A PERFLUOROCARBON GAS, AND A THICKENING OR SUSPENDING AGENT IMARX PHARMACEUTICAL CORP. (US) 1996-06-18 US claimed
US-5456900-A Low density microspheres and their use as contrast agents for computed tomography CITIZENS BANK, N.A. 1995-10-10 US claimed
EP-0580726-A4 LOW DENSITY MICROSPHERES AND THEIR USE AS CONTRAST AGENTS FOR COMPUTED TOMOGRAPHY. UNGER EVAN C (US) 1995-03-29 EP claimed
EP-0580726-A1 LOW DENSITY MICROSPHERES AND THEIR USE AS CONTRAST AGENTS FOR COMPUTED TOMOGRAPHY IMARX PHARMACEUTICAL CORP. (US) 1994-02-02 EP claimed
US-5281408-A Low density microspheres and their use as contrast agents for computed tomography CITIZENS BANK, N.A. 1994-01-25 US claimed
US-5205290-A LOW DENSITY MICROSPHERES AND THEIR USE AS CONTRAST AGENTS FOR COMPUTED TOMOGRAPHY CITIZENS BANK, N.A. 1993-04-27 US claimed
WO-1992017514-A1 LOW DENSITY MICROSPHERES AND THEIR USE AS CONTRAST AGENTS FOR COMPUTED TOMOGRAPHY UNGER EVAN C (US) 1992-10-15 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20040223914-A1 Composition comprising low density microspheres MSR1, CD68, SGMS1 POLB 1978/4885APEX1 4066/4885HTT 795/4885
US-20010024639-A1 LOW DENSITY MICROSPHERES AND THEIR USE AS CONTRAST AGENTS FOR COMPUTED TOMOGRAPHY AND IN OTHER APPLICATIONS FABP2, FABP6, MLNR POLB 2570/4885APEX1 3804/4885HTT 1235/4885
US-20030053953-A1 Contrast agent comprising low density microspheres MSR1, CD68, MTDH POLB 3194/4885APEX1 3988/4885HTT 765/4885

“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.