SCHEMBL3728142

SCHEMBL3728142

O=C1C2C=CCCC2C(=O)N1O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
MAPT P10636 1/20 0.31
APEX1 P27695 1/20 0.31
POLB P06746 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
SCHEMBL11709211 0.77 ALDH1A1 (0.30) ALDH1A1
SCHEMBL5711727 0.77 ALDH1A1 (0.30) ALDH1A1
SCHEMBL10967255 0.77 ALDH1A1 (0.31) ALDH1A1
SCHEMBL8406973 0.75
SCHEMBL8149050 0.74 CYP2D6 (0.30)
SCHEMBL15184112 0.74 ALDH1A1 (0.41) ALDH1A1TSHRMAPT
SCHEMBL8149048 0.74 ALDH1A1 (0.41) ALDH1A1TSHRMAPT
SCHEMBL7515119 0.73 ALDH1A1 (0.36) ALDH1A1
SCHEMBL8163464 0.73 ALPL (0.33) ALDH1A1TSHRMAPTPOLB
SCHEMBL5448489 0.73 ALDH1A1 (0.32) ALDH1A1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592307-B2 Releasable linkage and compositions containing same ALZA CORPORATION (US) 2009-09-22 US claimed
US-20080279922-A1 Releasable linkage and compositions containing same ALZA CORPORATION 2008-11-13 US claimed
US-20080152702-A1 Releasable linkage and compositions containing same ZALIPSKY SAMUEL 2008-06-26 US claimed
EP-1880736-A1 Releasable linkage and composition containing same Alza Corporation (US) 2008-01-23 EP claimed
EP-1701744-A2 THIOL-CLEAVABLE LINKAGE BETWEEN POLYMER AND LIGAND ALZA CORPORATION (US) 2006-09-20 EP claimed
WO-2005053749-A2 THIOL-CLEAVABLE LINKAGE BETWEEN POLYMER AND LIGAND ALZA CORPORATION (US) 2005-06-16 WO claimed
US-6849270-B2 Releasable linkage and compositions containing same ALZA CORPORATION (US) 2005-02-01 US claimed
US-20040213759-A1 Releasable linkage and compositions containing same ALZA CORPORATION 2004-10-28 US claimed
US-20030211079-A1 Releasable linkage and compositions containing same ALZA CORPORATION 2003-11-13 US claimed
JP-2002542386-A 2002-12-10 JP claimed
US-20020128195-A1 Releasable linkage and compositions containing same ALZA CORPORATION 2002-09-12 US claimed
US-6342244-B1 HYDROPHILIC POLYMER COVALENTLY YET REVERSIBLY LINKED TO A AMINE-CONTAINING LIGAND THROUGH A DITHIOBENZYL LINKAGE; MODIFICATION OF VARIOUS SUBSTRATES, SUCH AS POLYPEPTIDES, DRUGS AND LIPOSOMES; UPON CLEAVAGE OF THE LINKAGE, THE LIGAND ALZA CORPORATION 2002-01-29 US claimed
EP-1173221-A2 RELEASABLE LINKAGE AND COMPOSITIONS CONTAINING SAME Alza Corporation (US) 2002-01-23 EP claimed
WO-2000064483-A2 RELEASABLE LINKAGE AND COMPOSITIONS CONTAINING SAME ALZA CORPORATION (US) 2000-11-02 WO claimed
US-20100009908-A1 Galectin 9-Polymer Conjugates GALPHARMA CO., LTD. (JP) 2010-01-14 US disclosed
US-7608687-B2 Releasable linkage and compositions containing same ALZA CORPORATION (US) 2009-10-27 US disclosed
US-7592307-B2 Releasable linkage and compositions containing same ALZA CORPORATION (US) 2009-09-22 US disclosed
US-5324844-A From phosgenated polyether and n-hydroxyimide; for covalent attachment to proteins to produce hydrolysis-resistant carbamate group ENZON, INC. (US) 1994-06-28 US disclosed
US-5122614-A Stable, hydrolysis resistant linkages ENZON, INC. (US) 1992-06-16 US disclosed
EP-0023371-A1 Underwater coating composition ASTRAL Société de Peintures et Vernis (FR) 1981-02-04 EP 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-20030211079-A1 Releasable linkage and compositions containing same CD44, ILK, CD69 ALDH1A1 1574/4885TDP1 378/4885CYP3A4 3975/4885
US-20020128195-A1 Releasable linkage and compositions containing same CD44, ILK, CD69 ALDH1A1 1574/4885TDP1 378/4885CYP3A4 3975/4885
US-20080279922-A1 Releasable linkage and compositions containing same CD44, SHMT1, HCAR1 ALDH1A1 718/4885TDP1 603/4885CYP3A4 1171/4885
US-20080152702-A1 Releasable linkage and compositions containing same CD44, ILK, CD69 ALDH1A1 1574/4885TDP1 378/4885CYP3A4 3975/4885
US-20040213759-A1 Releasable linkage and compositions containing same CD44, SHMT1, HCAR1 ALDH1A1 718/4885TDP1 603/4885CYP3A4 1171/4885
US-20100009908-A1 Galectin 9-Polymer Conjugates LGALS9, LGALS1, LGALS2 ALDH1A1 3059/4885TDP1 2243/4885CYP3A4 1629/4885

“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.