SCHEMBL3875987

SCHEMBL3875987

CCCCN1C(=O)CC(C)=C(C#N)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ ALDH1A1 P00352 6/20 0.37
▸ MAPT P10636 6/20 0.37
▸ THRB P10828 3/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ MGLL Q99685 3/20 0.35
▸ FAAH O00519 2/20 0.35
▸ GAA P10253 3/20 0.34
▸ KMT2A Q03164 4/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ USP2 O75604 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ RECQL P46063 2/20 0.32
▸ BLM P54132 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
SCHEMBL421735 0.95 KDM4E (0.40) KDM4EL3MBTL1ALDH1A1MAPTTHRB
SCHEMBL10586024 0.89 KDM4E (0.39) KDM4EL3MBTL1ALDH1A1MAPTTHRB
SCHEMBL10587828 0.88 KDM4E (0.39) KDM4EL3MBTL1ALDH1A1MAPTTHRB
SCHEMBL10587384 0.86 KDM4E (0.36) KDM4EL3MBTL1ALDH1A1MAPTTHRB
SCHEMBL10586818 0.84 KDM4E (0.37) KDM4EL3MBTL1ALDH1A1MAPTLMNA
SCHEMBL2594812 0.84 KMT2A (0.40) KDM4EL3MBTL1ALDH1A1MAPTTHRB
SCHEMBL13692648 0.83 SMN1; SMN2 (0.39) KDM4EL3MBTL1ALDH1A1MAPTTHRB
SCHEMBL14159354 0.83 MEN1 (0.41) KDM4EL3MBTL1ALDH1A1MAPTTHRB
SCHEMBL14938061 0.82 L3MBTL1 (0.37) KDM4EL3MBTL1ALDH1A1MAPTTHRB
SCHEMBL10584621 0.81 KDM4E (0.33) KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2594558-A1 COMPLEX COMPOUND AND OPTICAL RECORDING MEDIUM CONTAINING SAME KH Neochem Co., Ltd. (JP) 2013-05-22 — — EP disclosed
US-20130123494-A1 COMPLEX COMPOUND AND OPTICAL RECORDING MEDIUM CONTAINING SAME KH NEOCHEM CO., LTD. (JP) 2013-05-16 — — US disclosed
EP-1869674-B1 BASIC YELLOW DYES AS DYE COMPONENT FOR OPTICAL DATA RECORDING MEDIA CLARIANT FINANCE BVI LTD (VG) 2009-10-14 — — EP disclosed
US-20090018318-A1 Basic Yellow Dyes as Dye Component for Optical Data Recording Media CLARIANT FINANCE (BVI) LIMITED (VG) 2009-01-15 — — US disclosed
EP-1869674-A1 BASIC YELLOW DYES AS DYE COMPONENT FOR OPTICAL DATA RECORDING MEDIA Clariant International Ltd. (CH) 2007-12-26 — — EP disclosed
WO-2007118784-A2 USES OF PHTHALIMIDE BASED AZO METAL COMPLEX DYES IN OPTICAL LAYERS FOR OPTICAL DATA RECORDING CLARIANT INTERNATIONAL LTD (CH) 2007-10-25 — — WO disclosed
WO-2007093506-A2 O,P-DIALKOXY-PHENYL-AZOMETAL COMPLEX DYES AND THEIR USE IN OPTICAL LAYERS FOR OPTICAL DATA RECORDING CLARIANT INTERNATIONAL LTD (CH) 2007-08-23 — — WO disclosed
WO-2006106110-A1 BASIC YELLOW DYES AS DYE COMPONENT FOR OPTICAL DATA RECORDING MEDIA CLARIANT INTERNATIONAL LTD (CH) 2006-10-12 — — 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-20130123494-A1 COMPLEX COMPOUND AND OPTICAL RECORDING MEDIUM CONTAINING SAME TRPA1, KCNH3, HCN3 KDM4E 3079/4885L3MBTL1 4471/4885ALDH1A1 1467/4885

“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.

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