SCHEMBL93138

SCHEMBL93138

CCCC(=O)C(C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.46
HDAC2 Q92769 5/20 0.46
HDAC3 O15379 4/20 0.46
HDAC8 Q9BY41 4/20 0.46
FFAR3 O14843 3/20 0.46
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
CHRM1 P11229 1/20 0.40
AKR1A1 P14550 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.38
CYP1A2 P05177 1/20 0.37
TP53 P04637 1/20 0.36

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
Ammonia Solution, Strong SCHEMBL29239960 0.97 HDAC1 (0.43) HDAC1HDAC2HDAC3HDAC8FFAR3
SCHEMBL7913100 0.86 CES2 (0.47) HDAC1HDAC2HDAC3HDAC8FFAR3
SCHEMBL2411791 0.85 CES2 (0.46) CES2CES1TP53ALDH1A1AKR1B1
SCHEMBL5528500 0.85 CES2 (0.46) CES2CES1TP53ALDH1A1AKR1B1
SCHEMBL28187871 0.84 HDAC1 (0.37) HDAC1HDAC2HDAC3HDAC8FFAR3
SCHEMBL3142041 0.83 CES2 (0.54) CES2TDP1TSHRALDH1A1AKR1B1
SCHEMBL31518376 0.83 HDAC1 (0.36) HDAC1HDAC2HDAC3HDAC8FFAR3
SCHEMBL10360944 0.81 CES2 (0.57) CES2TDP1TSHRALDH1A1
SCHEMBL8637203 0.81 CES2 (0.57) CES2TDP1TSHRALDH1A1
SCHEMBL19732886 0.81 CES2 (0.57) CES2TDP1TSHRALDH1A1

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 186 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4069797-A1 MICHAEL REACTION-CURING SYNTHETIC RESIN FOR USE IN CHEMICAL FASTENING TECHNOLOGY fischerwerke GmbH & Co. KG (DE) 2022-10-12 EP claimed
WO-2021110622-A1 MICHAEL REACTION-CURING SYNTHETIC RESIN FOR USE IN CHEMICAL FASTENING TECHNOLOGY FISCHERWERKE GMBH & CO. KG (DE) 2021-06-10 WO claimed
CN-110818562-A Preparation method and application of novel perfluoroalkyl (methyl) acrylate 上海欧勒奋生物科技有限公司 2020-02-21 CN claimed
US-20200040108-A1 PROCESS FOR MAKING A CONSUMER PRODUCT COMPRISING MODIFIED POLYSACCHARIDES PROCTER & GAMBLE INTERNATIONAL OPERATIONS SA 2020-02-06 US claimed
WO-2020026143-A1 PROCESS FOR MAKING A CONSUMER PRODUCT COMPRISING MODIFIED POLYSACCHARIDES PROCTER & GAMBLE INTERNATIONAL OPERATIONS SA (CH) 2020-02-06 WO claimed
EP-3604346-A1 PROCESS FOR MAKING A CONSUMER PRODUCT COMPRISING MODIFIED POLYSACCHARIDES Procter & Gamble International Operations SA (CH) 2020-02-05 EP claimed
US-10189015-B2 Hydroprocessing catalyst composition containing an acetoacetic acid compound, a method of making such a catalyst, and a process of using such catalyst SHELL OIL COMPANY (US) 2019-01-29 US claimed
EP-3209752-A1 A HYDROPROCESSING CATALYST COMPOSITION CONTAINING AN ACETOACETIC ACID COMPOUND, A METHOD OF MAKING SUCH A CATALYST, AND A PROCESS OF USING SUCH CATALYST CATALYST Shell Internationale Research Maatschappij B.V. (NL) 2017-08-30 EP claimed
US-20160152825-A1 PROCESS FOR PRODUCING COMPOSITES EVONIK DEGUSSA GMBH (DE) 2016-06-02 US claimed
EP-3026072-A1 Method for the preparation of composites Evonik Degussa GmbH (DE) 2016-06-01 EP claimed
US-20160114315-A1 HYDROPROCESSING CATALYST COMPOSITION CONTAINING AN ACETOACETIC ACID COMPOUND, A METHOD OF MAKING SUCH A CATALYST, AND A PROCESS OF USING SUCH CATALYST SHELL USA, INC. 2016-04-28 US claimed
US-9117962-B2 CIGS light-absorbing ink and method for preparing CIGS light-absorbing layer GS CALTEX CORPORATION (KR) 2015-08-25 US claimed
US-20150132885-A1 CIGS LIGHT-ABSORBING INK AND METHOD FOR PREPARING CIGS LIGHT-ABSORBING LAYER GS CALTEX CORPORATION (KR) 2015-05-14 US claimed
US-20150125989-A1 METHOD FOR PREPARING LIGHT-ABSORBING LAYER FOR CIS- OR CIGS-BASED SOLAR CELLS, AND LIGHT-ABSORBING INK FOR CIS- OR CIGS-BASED SOLAR CELLS GS CALTEX CORPORATION (KR) 2015-05-07 US claimed
WO-2008072257-A2 PROCESS FOR THE PREPARATION OF INDOLE DERIVATIVES IND-SWIFT LABORATORIES LIMITED (IN) 2008-06-19 WO claimed
EP-0912467-B1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE SA (FR) 2002-04-24 EP claimed
EP-0900214-B1 PROCESS FOR PREPARATION OF PYRIMIDINE DERIVATIVES YUHAN CORP (KR) 2001-09-26 EP claimed
JP-54130597-A None JP disclosed
US-4219649-A ANALGESICS CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT (HU) 1980-08-26 US disclosed
JP-S54130597-A PREPARATION OF 1,2-DIHYDRO-3H-PYRROLO3,2-EINDOLE DERIVATIVE MITSUI TOATSU CHEM INC 1979-10-09 JP 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-20200040108-A1 PROCESS FOR MAKING A CONSUMER PRODUCT COMPRISING MODIFIED POLYSACCHARIDES MGAM, FUT5, FUT6 HDAC1 1024/4885HDAC2 1225/4885HDAC3 809/4885

“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.