SCHEMBL504358

SCHEMBL504358

C=CC/C(O)=C(/C)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
FGFR4 P22455 1/20 0.32
LMNA P02545 1/20 0.30
ALOX15 P16050 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30

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
SCHEMBL35839 0.81 ALDH1A1 (0.35) ALDH1A1LMNA
SCHEMBL1244050 0.81 ALDH1A1 (0.35) ALDH1A1LMNA
SCHEMBL170138 0.79 TDP1 (0.38) TDP1ALDH1A1TSHRFGFR4LMNA
SCHEMBL1635822 0.79 TDP1 (0.38) TDP1ALDH1A1TSHRFGFR4LMNA
SCHEMBL1201121 0.79 TDP1 (0.38) TDP1ALDH1A1TSHRFGFR4LMNA
SCHEMBL25416543 0.79 TDP1 (0.38) TDP1ALDH1A1TSHRFGFR4LMNA
SCHEMBL1083275 0.77
SCHEMBL728392 0.76 ALDH1A1 (0.35) ALDH1A1TSHRFGFR4LMNA
SCHEMBL18660282 0.74 TDP1 (0.33) TDP1
SCHEMBL8927707 0.74 FNTA (0.34) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114630818-A Protein-macromolecule conjugates and methods of use thereof 北京轩义医药科技有限公司 2022-06-14 CN claimed
CN-109310981-A Composite material, its preparation and gas purification purposes 南洋理工大学 2019-02-05 CN claimed
EP-1922350-B1 METHODS FOR PREPARING POLYMERIC REAGENTS NEKTAR THERAPEUTICS (US) 2015-01-07 EP claimed
US-8383380-B2 Segmented polymers and their conjugates NEKTAR THERAPEUTICS (US) 2013-02-26 US claimed
EP-1765411-B1 POLYMER-FACTOR IX MOIETY CONJUGATES NEKTAR THERAPEUTICS (US) 2012-06-20 EP claimed
US-20120088745-A1 CHEMICALLY MODIFIED SMALL MOLECULES NEKTAR THERAPEUTICS 2012-04-12 US claimed
US-20120027714-A1 Segmented Polymers and Their Conjugates NEKTAR THERAPEUTICS (US) 2012-02-02 US claimed
US-8084572-B2 Segmented polymers and their conjugates NEKTAR THERAPEUTICS (US) 2011-12-27 US claimed
US-20110021761-A1 Segmented Polymers and Their Conjugates NEKTAR THERAPEUTICS (US) 2011-01-27 US claimed
US-7834138-B2 Segmented polymers and their conjugates NEKTAR THERAPEUTICS (US) 2010-11-16 US claimed
JP-2007514761-A 2007-06-07 JP claimed
EP-1694363-A2 PEGYLATED SMALL MOLECULES Nektar Therapeutics Al, Corporation (US) 2006-08-30 EP claimed
US-20060183855-A1 Segmented polymers and their conjugates NEKTAR THERAPEUTICS AL, CORPORATION 2006-08-17 US claimed
US-7053150-B2 Segmented polymers and their conjugates NEKTAR THERAPEUTICS AL, CORPORATION (US) 2006-05-30 US claimed
WO-2005058367-A2 PEGYLATED SMALL MOLECULES NEKTAR THERAPEUTICS AL, CORPORATION (US) 2005-06-30 WO claimed
US-20050136031-A1 Drugs covalently attached to a water-soluble oligomer; reduced first pass effect; e.g. non-opioid antagonist conjugated to a polyethylene glycol (PEG) group such as PEG-naloxol REDHILL BIOPHARMA LTD. (IL) 2005-06-23 US claimed
US-20040236015-A1 Segmented polymers and their conjugates NEKTAR THERAPEUTICS 2004-11-25 US claimed
EP-0465302-B1 Precursors of isocyanurate polymers having hydroxyl, urethane, isocyanate or acrylate groups, and process for their preparation ATOCHEM ELF SA (FR) 1994-12-28 EP claimed
US-4101461-A Method for preparation of anion exchangers by substitution of hydrophilic polymeric gels CZECHOSLOVENSKA AKADEMIE VED (CS) 1978-07-18 US claimed
US-3991018-A Method for preparation of cation exchangers by substitution of hydrophilic polymeric gels of crosslinked hydroxyalkyl acrylates and hydroxyalkylacrylamides CESKOSLOVENSKA AKADEMIE VED (CS) 1976-11-09 US 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 (5 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-20110021761-A1 Segmented Polymers and Their Conjugates EPCAM, CD44, ECPAS TDP1 1814/4885ALDH1A1 1185/4885TSHR 3620/4885
US-20120027714-A1 Segmented Polymers and Their Conjugates EPCAM, CD44, ECPAS TDP1 1814/4885ALDH1A1 1185/4885TSHR 3620/4885
US-20050136031-A1 Drugs covalently attached to a water-soluble oligomer; reduced first pass effect; e.g. non-opioid antagonist conjugated to a polyethylene glycol (PEG) group such as PEG-naloxol OPRM1, OPRL1, OPRK1 TDP1 4453/4885ALDH1A1 1511/4885TSHR 2306/4885
US-20060183855-A1 Segmented polymers and their conjugates EPCAM, CD44, ECPAS TDP1 1814/4885ALDH1A1 1185/4885TSHR 3620/4885
US-20120088745-A1 CHEMICALLY MODIFIED SMALL MOLECULES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CD44, PLG TDP1 4000/4885ALDH1A1 1403/4885TSHR 1662/4885

“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.