SCHEMBL2780587

SCHEMBL2780587

CCC(NC(=O)CCC#N)=C(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MCL1 Q07820 2/20 0.32

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
SCHEMBL2780583 1.00 ALDH1A1 (0.33) ALDH1A1GAAMCL1
SCHEMBL11029326 0.75
SCHEMBL8472102 0.74 ALDH1A1 (0.36) ALDH1A1GAA
SCHEMBL9317787 0.73 SMN1; SMN2 (0.31) ALDH1A1
SCHEMBL1011842 0.72 FFAR3 (0.35) ALDH1A1
SCHEMBL10958213 0.72 MEN1 (0.35) ALDH1A1GAAMCL1
SCHEMBL472247 0.69 CRBN (0.42) ALDH1A1
SCHEMBL9013440 0.69 CRBN (0.42) ALDH1A1
SCHEMBL30824528 0.68 MCL1 (0.44) ALDH1A1GAAMCL1
SCHEMBL8771608 0.66

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9482944-B2 Copolymers, polymeric particles comprising said copolymers and copolymeric binders for radiation-sensitive coating compositions for negative-working radiation-sensitive lithographic printing plates MYLAN GROUP (VN) 2016-11-01 US disclosed
US-20120190810-A1 COPOLYMERS, POLYMERIC PARTICLES COMPRISING SAID COPOLYMERS AND COPOLYMERIC BINDERS FOR RADIATION-SENSITIVE COATING COMPOSITIONS FOR NEGATIVE-WORKING RADIATION-SENSITIVE LITHOGRAPHIC PRINTING PLATES MYLAN GROUP (VN) 2012-07-26 US disclosed
EP-2478020-A2 COPOLYMERS, POLYMERIC PARTICLES COMPRISING SAID COPOLYMERS AND COPOLYMERIC BINDERS FOR RADIATION-SENSITIVE COATING COMPOSITIONS FOR NEGATIVE-WORKING RADIATION-SENSITIVE LITHOGRAPHIC PRINTING PLATES Mylan Group (VN) 2012-07-25 EP disclosed
WO-2010148520-A2 COPOLYMERS, POLYMERIC PARTICLES COMPRISING SAID COPOLYMERS AND COPOLYMERIC BINDERS FOR RADIATION-SENSITIVE COATING COMPOSITIONS FOR NEGATIVE-WORKING RADIATION-SENSITIVE LITHOGRAPHIC PRINTING PLATES MYLAN GROUP (VN) 2010-12-29 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 (1 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-20120190810-A1 COPOLYMERS, POLYMERIC PARTICLES COMPRISING SAID COPOLYMERS AND COPOLYMERIC BINDERS FOR RADIATION-SENSITIVE COATING COMPOSITIONS FOR NEGATIVE-WORKING RADIATION-SENSITIVE LITHOGRAPHIC PRINTING PLATES LCP1, MLN, ZNF207 ALDH1A1 4849/4885GAA 2801/4885MCL1 2882/4885

“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.