Butenone

Butenone

SCHEMBL7053850

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

nearest known ligand 0.95

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.95
GLA P06280 1/20 0.95
MAPT P10636 4/20 0.64
LMNA P02545 3/20 0.64
ALDH1A1 P00352 3/20 0.64
HDAC3 O15379 2/20 0.64
HDAC4 P56524 2/20 0.64
HDAC1 Q13547 2/20 0.64
HDAC2 Q92769 2/20 0.64
HDAC8 Q9BY41 2/20 0.64
HDAC6 Q9UBN7 2/20 0.64
PLIN1 O60240 2/20 0.64
RECQL P46063 2/20 0.64
PLIN5 Q00G26 2/20 0.64
ABHD5 Q8WTS1 2/20 0.64
F3 P13726 2/20 0.64
TNKS O95271 1/20 0.64
HCAR2 Q8TDS4 1/20 0.64
HDAC7 Q8WUI4 1/20 0.64
HDAC10 Q969S8 1/20 0.64

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 SCHEMBL792625 1.00 TDP1 (0.95) TDP1GLAMAPTLMNAALDH1A1
Butenone SCHEMBL490740 1.00 TDP1 (0.95) TDP1GLAMAPTLMNAALDH1A1
Butenone SCHEMBL2891566 1.00 TDP1 (0.95) TDP1GLAMAPTLMNAALDH1A1
Butenone SCHEMBL5788285 1.00 TDP1 (0.95) TDP1GLAMAPTLMNAALDH1A1
Butenone SCHEMBL699144 1.00 TDP1 (0.95) TDP1GLAMAPTLMNAALDH1A1
Butenone SCHEMBL29739250 1.00 TDP1 (0.95) TDP1GLAMAPTLMNAALDH1A1
Butenone SCHEMBL4306181 1.00 TDP1 (0.95) TDP1GLAMAPTLMNAALDH1A1
Butenone SCHEMBL6401376 1.00 TDP1 (0.95) TDP1GLAMAPTLMNAALDH1A1
Butenone SCHEMBL12984182 0.98 TDP1 (1.00) TDP1GLAMAPTLMNAALDH1A1
Butenone SCHEMBL76632 0.98 TDP1 (1.00) TDP1GLAMAPTLMNAALDH1A1

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
CN-116997575-A Polymer and application thereof 日产化学株式会社 2023-11-03 CN disclosed
US-20230142119-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-11 US disclosed
US-20220306578-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-09-29 US disclosed
CN-114929676-A Heterocyclic carboxylate compounds as glycolate oxidase inhibitors 紫丁香疗法有限公司 2022-08-19 CN disclosed
CN-110437046-B Fluorine atom-containing polymer and field of use thereof 日产化学工业株式会社 2022-08-16 CN disclosed
CN-109563243-B Fluorine atom-containing polymer and use thereof 日产化学株式会社 2022-07-08 CN disclosed
WO-2021073623-A1 METHOD FOR PREPARING ISOQUINOLINONE COMPOUNDS 上海迪赛诺化学制药有限公司 2021-04-22 WO disclosed
WO-2003024975-A1 LAULIMALIDE-DERIVATIVES, THEIR USE AND PROCESS FOR THE PRODUCTION OF LAULIMALIDE AND LAULIMALIDE-DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 2003-03-27 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 (2 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-20230142119-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 TDP1 361/4885GLA 1496/4885MAPT 68/4885
US-20220306578-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 TDP1 361/4885GLA 1496/4885MAPT 68/4885

“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.