Butenone

Butenone

SCHEMBL4306181

CC(=O)/C=C/c1ccccc1.[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 SCHEMBL7053850 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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109261209-A It is a kind of using nitrogen heterocycle carbine ligand as the preparation method of the monatomic catalyst of carrier 广西师范大学 2019-01-25 CN claimed
CN-102453051-B Synthesizing method of axis-unfixed biphenyl phosphine-oxazoline chiral ligand UNIV SHANGHAI JIAOTONG 2014-12-24 CN claimed
CN-102453051-A Synthesis method of axis-unstable biphenyl phosphine-oxazoline chiral ligand UNIV SHANGHAI JIAOTONG 2012-05-16 CN claimed
EP-1270582-B1 TRIPHENYLPHOSPHINE DERIVATIVES, PALLADIUM OR NICKEL COMPLEXES THEREOF, AND PROCESS FOR PREPARING BIARYL DERIVATIVES MITSUBISHI RAYON CO (JP) 2006-08-30 EP claimed
US-6693210-B2 USING PALLADIUM, NICKEL PHOSPHINE COMPLEX AS CATALYSTS MITSUBISHI RAYON CO., LTD. (JP) 2004-02-17 US claimed
US-20030065208-A1 Using palladium, nickel phosphine complex as catalysts MITSUBISHI RAYON CO., LTD. (JP) 2003-04-03 US claimed
EP-1270582-A1 TRIPHENYLPHOSPHINE DERIVATIVE, PRODUCTION PROCESS THEREFOR, PALLADIUM COMPLEX THEREOF, AND PROCESS FOR PRODUCING BIARYL DERIVATIVE Mitsubishi Rayon Co., Ltd. (JP) 2003-01-02 EP claimed
JP-3068533-A None JP disclosed
WO-2019190241-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2019-10-03 WO disclosed
WO-2019164218-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 2019-08-29 WO disclosed
CN-109261209-A It is a kind of using nitrogen heterocycle carbine ligand as the preparation method of the monatomic catalyst of carrier 广西师范大学 2019-01-25 CN disclosed
CN-102453051-B Synthesizing method of axis-unfixed biphenyl phosphine-oxazoline chiral ligand UNIV SHANGHAI JIAOTONG 2014-12-24 CN disclosed
US-8697824-B2 Cross-linkable bi-sulphonyl derivatives and their uses for preparing ion-exchanging membranes HYDRO QUEBEC (CA) 2014-04-15 US disclosed
EP-1270582-A1 TRIPHENYLPHOSPHINE DERIVATIVE, PRODUCTION PROCESS THEREFOR, PALLADIUM COMPLEX THEREOF, AND PROCESS FOR PRODUCING BIARYL DERIVATIVE Mitsubishi Rayon Co., Ltd. (JP) 2003-01-02 EP disclosed
EP-0973734-A1 CROSSLINKABLE BI-SULPHONYL DERIVATIVES AND THEIR USES FOR PREPARING ION-EXCHANGING MEMBRANES HYDRO-QUEBEC (CA) 2000-01-26 EP disclosed
WO-1999038842-A1 CROSSLINKABLE BI-SULPHONYL DERIVATIVES AND THEIR USES FOR PREPARING ION-EXCHANGING MEMBRANES HYDRO-QUEBEC (CA) 1999-08-05 WO disclosed
EP-0323141-B1 Preparation of cinnamate esters MITSUI TOATSU CHEMICALS (JP) 1994-03-16 EP disclosed
JP-H0368533-A PRODUCTION OF DIARYL KETONE SAGAMI CHEM RES CENTER 1991-03-25 JP disclosed
US-4908472-A Preparation process of cinnamate ester MITSUI TOATSU CHEMICALS, INC. (JP) 1990-03-13 US disclosed
EP-0323141-A2 Preparation of cinnamate esters MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-07-05 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-20030065208-A1 Using palladium, nickel phosphine complex as catalysts PDCD1LG2, PIK3CA, PDCD1 TDP1 4088/4885GLA 4030/4885MAPT 4407/4885

“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.