SCHEMBL421735

SCHEMBL421735

CCCCCN1C(=O)CC(C)=C(C#N)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.40
▸ MGLL Q99685 6/20 0.40
▸ FAAH O00519 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ THRB P10828 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PTGS1 P23219 3/20 0.38
▸ PTGS2 P35354 3/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALDH2 P05091 1/20 0.34
▸ ALDH3A1 P30838 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL3875987 0.95 KDM4E (0.44) KDM4EMGLLFAAHALDH1A1MAPT
SCHEMBL10587828 0.89 KDM4E (0.39) KDM4EMGLLFAAHALDH1A1MAPT
SCHEMBL10586024 0.88 KDM4E (0.39) KDM4EMGLLFAAHALDH1A1MAPT
SCHEMBL2594812 0.85 KMT2A (0.40) KDM4EALDH1A1MAPTTHRBGAA
SCHEMBL10587384 0.85 KDM4E (0.36) KDM4EALDH1A1MAPTTHRBGAA
SCHEMBL10586818 0.83 KDM4E (0.37) KDM4EALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL13692648 0.82 SMN1; SMN2 (0.39) KDM4EALDH1A1MAPTTHRBGAA
SCHEMBL14159354 0.81 MEN1 (0.41) KDM4EALDH1A1MAPTTHRBGAA
SCHEMBL10587223 0.80 KDM4E (0.32) KDM4E
SCHEMBL10585560 0.80 KDM4E (0.32) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022261-A1 Colorant Compositions Containing an Oxonol Dye FEILER LEONHARD (DE) 2012-01-26 — — US disclosed
US-20090130400-A1 Colorant compositions containing an oxonol dye CIBA SPECIALTY CHEMICALS CORP. 2009-05-21 — — US disclosed
EP-1917312-B1 COLORANT COMPOSITIONS CONTAINING AN OXONOL DYE CIBA HOLDING INC (CH) 2009-04-29 — — 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 (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-20120022261-A1 Colorant Compositions Containing an Oxonol Dye OXA1L, CBR3, CYB5R3 KDM4E 3341/4885MGLL 1044/4885FAAH 3240/4885

“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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