SCHEMBL4576180

SCHEMBL4576180

CC(=O)C(C)C(=O)CC(C)C

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CA2 P00918 1/20 0.42
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
KISS1R Q969F8 2/20 0.31
FFAR1 O14842 1/20 0.31
PTPN1 P18031 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL1923143 0.85 ALDH1A1 (0.53) ALDH1A1TDP1CA2CYP2C19SMN1; SMN2
SCHEMBL3235971 0.78 ALDH1A1 (0.52) ALDH1A1TDP1CA2CYP2C19SMN1; SMN2
SCHEMBL2430808 0.78 ALDH1A1 (0.46) ALDH1A1TDP1CA2CYP2C19MMP1
SCHEMBL1741617 0.74
SCHEMBL14643904 0.74
SCHEMBL14827547 0.74 ALDH1A1 (0.48) ALDH1A1TDP1CA2CYP2C19SMN1; SMN2
SCHEMBL109110 0.73
SCHEMBL9371316 0.72 ALDH1A1 (0.40) ALDH1A1TDP1CA2CYP2C19PTPN1
Chloroform SCHEMBL10779022 0.72 ALDH1A1 (0.40) ALDH1A1TDP1CA2CYP2C19MMP1
SCHEMBL17213412 0.72 ALDH1A1 (0.40) ALDH1A1TDP1CA2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1472293-B1 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFINS, CATALYST COMPRISING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEM CORP (CN) 2017-04-26 EP disclosed
EP-2261696-A1 Copolymerizable azo compounds and articles containing them Abbott Medical Optics Inc. (US) 2010-12-15 EP disclosed
US-7388061-B2 Solid catalyst component for polymerization of olefins, catalyst comprising the same and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2008-06-17 US disclosed
EP-1472293-A4 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFINS, CATALYST COMPRISING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL (CN) 2008-01-16 EP disclosed
CN-1297534-C Glycol ester compound for preparing catalyst for olefinic polymerization CHINA PETROCHEMICAL CORP (CN) 2007-01-31 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-20050239636-A1 Solid catalyst component for polymerization of olefins, catalyst comprising the same and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2005-10-27 US disclosed
CN-1213080-C Catalyst for olefine polymerizing reaction and its components CHINA PETROCHEMICAL CORP (CN) 2005-08-03 CN 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
CN-1580034-A Glycol ester compound for preparing catalyst for olefinic polymerization CHINA PETROCHEMICAL CORP (CN) 2005-02-16 CN 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
EP-1472293-A1 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFINS, CATALYST COMPRISING THE SAME AND USE THEREOF China Petroleum & Chemical Corporation (CN) 2004-11-03 EP disclosed
CN-1453298-A Catalyst for olefine polymerizing reaction and its components CHINA PETROCHEMICAL CORP (CN) 2003-11-05 CN disclosed
WO-2003068828-A1 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFINS, CATALYST COMPRISING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2003-08-21 WO 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

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 ALDH1A1 3489/4885TDP1 4722/4885CA2 810/4885

“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.