Butenone

Butenone

SCHEMBL4513174

CC(=O)C=Cc1ccccc1.CC(=O)C=Cc1ccccc1.CC(=O)C=Cc1ccccc1.ClC(Cl)Cl.[Pd].[Pd]

nearest known ligand 0.81

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.81
▸ GLA P06280 1/20 0.81
▸ LMNA P02545 3/20 0.55
▸ MAPT P10636 3/20 0.55
▸ HDAC3 O15379 2/20 0.55
▸ HDAC4 P56524 2/20 0.55
▸ HDAC1 Q13547 2/20 0.55
▸ HDAC2 Q92769 2/20 0.55
▸ HDAC8 Q9BY41 2/20 0.55
▸ HDAC6 Q9UBN7 2/20 0.55
▸ PLIN1 O60240 2/20 0.55
▸ RECQL P46063 2/20 0.55
▸ PLIN5 Q00G26 2/20 0.55
▸ ABHD5 Q8WTS1 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ TNKS O95271 1/20 0.55
▸ HCAR2 Q8TDS4 1/20 0.55
▸ HDAC7 Q8WUI4 1/20 0.55
▸ HDAC10 Q969S8 1/20 0.55
▸ HDAC11 Q96DB2 1/20 0.55

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
Butenone SCHEMBL7666350 1.00 TDP1 (0.81) TDP1GLALMNAMAPTHDAC3
Butenone SCHEMBL792625 0.92 TDP1 (0.95) TDP1GLALMNAMAPTHDAC3
Butenone SCHEMBL5788285 0.92 TDP1 (0.95) TDP1GLALMNAMAPTHDAC3
Butenone SCHEMBL2891566 0.92 TDP1 (0.95) TDP1GLALMNAMAPTHDAC3
Butenone SCHEMBL4306181 0.92 TDP1 (0.95) TDP1GLALMNAMAPTHDAC3
Butenone SCHEMBL6401376 0.92 TDP1 (0.95) TDP1GLALMNAMAPTHDAC3
Butenone SCHEMBL7053850 0.92 TDP1 (0.95) TDP1GLALMNAMAPTHDAC3
Butenone SCHEMBL29739250 0.92 TDP1 (0.95) TDP1GLALMNAMAPTHDAC3
Butenone SCHEMBL699144 0.92 TDP1 (0.95) TDP1GLALMNAMAPTHDAC3
Butenone SCHEMBL490740 0.92 TDP1 (0.95) TDP1GLALMNAMAPTHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137597-A1 Novel quinoxalinone derivatives MSD K.K. (JP) 2009-05-28 — — US 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-20090137597-A1 Novel quinoxalinone derivatives NDUFB1, NDUFB6, NDUFB7 TDP1 2781/4885GLA 2386/4885LMNA 976/4885

“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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