SCHEMBL3215431

SCHEMBL3215431

CC(C)(C)C1=CCCC1=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
ATM Q13315 2/20 0.40
MCL1 Q07820 1/20 0.40
CES2 O00748 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
CES1 P23141 1/20 0.32
MPI P34949 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL14639362 0.65 ALDH1A1 (0.36) ALDH1A1MAPTATMMCL1
SCHEMBL13400618 0.65 GSTP1 (0.33)
SCHEMBL160163 0.65
SCHEMBL3200756 0.65
SCHEMBL21955629 0.64
SCHEMBL4657978 0.63 ATM (0.50) ALDH1A1MAPTATMMCL1CES2
SCHEMBL24612978 0.62 POLB (0.32) ALDH1A1MAPTATMMCL1
SCHEMBL1044726 0.62
SCHEMBL4195110 0.61
SCHEMBL3201257 0.60 CYP1A2 (0.32) ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160279248-A1 EXTRACELLULAR TARGETED DRUG CONJUGATES CENTROSE, LLC 2016-09-29 US disclosed
US-9364554-B2 Extracellular targeted drug conjugates CENTROSE LLC (US) 2016-06-14 US disclosed
US-8703723-B2 Glycoside compounds and pharmaceutical compositions thereof CENTROSE, LLC (US) 2014-04-22 US disclosed
US-20130178431-A1 GLYCOSIDE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF CENTROSE, LLC (US) 2013-07-11 US disclosed
US-8470980-B2 Extracellular targeted drug conjugates CENTROSE, LLC (US) 2013-06-25 US disclosed
US-8361973-B2 Glycoside compounds and pharmaceutical compositions thereof CENTROSE, LLC (US) 2013-01-29 US disclosed
US-20110319350-A1 GLYCOSIDE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF CENTROSE, LLC (US) 2011-12-29 US disclosed
US-20110064752-A1 EXTRACELLULAR TARGETED DRUG CONJUGATES CENTROSE, LLC (US) 2011-03-17 US disclosed
US-7732643-B2 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-08 US disclosed
US-7671226-B2 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-02 US disclosed
US-20100048933-A1 TRANSITION METAL COMPLEX, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME HANAOKA HIDENORI 2010-02-25 US disclosed
EP-1426379-B1 TRANSITION METAL COMPLEX,CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME SUMITOMO CHEMICAL CO (JP) 2009-11-11 EP disclosed
US-20090054607-A1 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same HANAOKA HIDENORI 2009-02-26 US disclosed
US-7439379-B2 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL CO., LTD. (JP) 2008-10-21 US disclosed
US-20040242410-A1 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-12-02 US disclosed
EP-1426379-A1 TRANSITION METAL COMPLEX,CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME Sumitomo Chemical Company, Limited (JP) 2004-06-09 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 (6 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-20110064752-A1 EXTRACELLULAR TARGETED DRUG CONJUGATES FCGR2A, ENGASE, FCER2 ALDH1A1 1232/4885MAPT 1818/4885ATM 3936/4885
US-20090054607-A1 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same C1R, C1S, AP1M1 ALDH1A1 1229/4885MAPT 2641/4885ATM 3326/4885
US-20100048933-A1 TRANSITION METAL COMPLEX, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME C1R, C1S, AP1M1 ALDH1A1 1229/4885MAPT 2641/4885ATM 3326/4885
US-20110319350-A1 GLYCOSIDE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF UGCG, NFATC1, GAA ALDH1A1 1948/4885MAPT 3783/4885ATM 3295/4885
US-20130178431-A1 GLYCOSIDE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF UGCG, NFATC1, GAA ALDH1A1 1948/4885MAPT 3783/4885ATM 3295/4885
US-20160279248-A1 EXTRACELLULAR TARGETED DRUG CONJUGATES FCGR2A, ENGASE, FCER2 ALDH1A1 1232/4885MAPT 1818/4885ATM 3936/4885

“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.