SCHEMBL6048466

SCHEMBL6048466

CCCCC(C)(C(C)=O)C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.39
GGPS1 O95749 1/20 0.38
FDPS P14324 1/20 0.38
CES2 O00748 7/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.36
AKR1B1 P15121 1/20 0.35

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
SCHEMBL8600530 0.90 AKR1B1 (0.37) CES1ALDH1A1AKR1B1
SCHEMBL28178973 0.86 FDPS (0.38) CES1GGPS1FDPSCES2ALDH1A1
SCHEMBL27347514 0.83 GGPS1 (0.43) GGPS1CES2ALDH1A1AKR1B1
SCHEMBL8637200 0.81 GGPS1 (0.47) GGPS1CES2ALDH1A1
SCHEMBL13084351 0.81 MEN1 (0.47) ALDH1A1GAA
SCHEMBL41296 0.80 MEN1 (0.46) ALDH1A1
SCHEMBL108941 0.79 CES1 (0.39) CES1FDPSCES2ALDH1A1GAA
SCHEMBL1902095 0.79 AKR1B1 (0.40) ALDH1A1AKR1B1
SCHEMBL4104147 0.78 GGPS1 (0.44) CES1GGPS1FDPSCES2
SCHEMBL13998098 0.77 GAA (0.34) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107428941-A Catalyst containing amidino groups SIKA技术股份公司 2017-12-01 CN disclosed
EP-1478617-A4 POLYOL ESTER COMPOUNDS USEFUL IN PREPARATION OF A CATALYST FOR OLEFINS POLYMERIZATION, PROCESS FOR PREPARING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL (CN) 2006-04-19 EP disclosed
US-20050096389-A1 Polyol ester compounds useful in preparation of a catalyst for olefins polymerization, process for preparing the same and use thereof CHINA PETROLEUM & CHEMICAL (CN) 2005-05-05 US disclosed
EP-1478617-A1 POLYOL ESTER COMPOUNDS USEFUL IN PREPARATION OF A CATALYST FOR OLEFINS POLYMERIZATION, PROCESS FOR PREPARING THE SAME AND USE THEREOF China Petroleum & Chemical Corporation (CN) 2004-11-24 EP disclosed
WO-2003068723-A1 POLYOL ESTER COMPOUNDS USEFUL IN PREPARATION OF A CATALYST FOR OLEFINS POLYMERIZATION, PROCESS FOR PREPARING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2003-08-21 WO disclosed
US-5532386-A CATALYTIC CARBONIC ESTER AND A TERTIARY AMINE BASF AKTIENGESELLSCHAFT (DE) 1996-07-02 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-20050096389-A1 Polyol ester compounds useful in preparation of a catalyst for olefins polymerization, process for preparing the same and use thereof CBR3, CBR1, OXER1 CES1 1739/4885GGPS1 1301/4885FDPS 3387/4885

“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.