SCHEMBL409671

SCHEMBL409671

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
CA2 P00918 6/20 0.38
CA1 P00915 4/20 0.38
MAPK1 P28482 1/20 0.37
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL407163 0.86 CA2 (0.53) USP2TSHRCA2CA1MAPK1
SCHEMBL29190445 0.84 CA2 (0.52) USP2TSHRCA2CA1MAPK1
SCHEMBL27689591 0.84 CA2 (0.52) USP2TSHRCA2CA1MAPK1
SCHEMBL31042227 0.84 CA2 (0.52) USP2TSHRCA2CA1MAPK1
SCHEMBL25763405 0.84 CA2 (0.35) USP2TSHRCA2CA1MAPK1
SCHEMBL23009499 0.82 CA2 (0.39) USP2TSHRCA2CA1MAPK1
SCHEMBL8826082 0.82 USP2 (0.37) USP2TSHRCA2CA1MAPK1
SCHEMBL21802707 0.82 USP2 (0.37) USP2TSHRCA2CA1MAPK1
SCHEMBL7710858 0.80 CA2 (0.38) USP2TSHRCA2CA1MAPK1
SCHEMBL31252836 0.80 USP2 (0.35) USP2TSHRCA2CA1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9111454-A None JP disclosed
JP-9041144-A None JP disclosed
US-20230263049-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-08-17 US disclosed
US-20230212207-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-07-06 US disclosed
US-8563685-B2 Fatty acid formulations and oral delivery of proteins and peptides, and uses thereof BIOCON LIMITED (IN) 2013-10-22 US disclosed
US-20120021127-A1 MATERIAL FOR CHEMICAL VAPOR DEPOSITION AND PROCESS FOR FORMING SILICON-CONTAINING THIN FILM USING SAME ADEKA CORPORATION (JP) 2012-01-26 US disclosed
US-20100216714-A1 NATRIURETIC COMPOUNDS, CONJUGATES, AND USES THEREOF JAMES KENNETH D 2010-08-26 US disclosed
US-20100105605-A1 FATTY ACID FORMULATIONS AND ORAL DELIVERY OF PROTEINS AND PEPTIDES, AND USES THEREOF RADHAKRISHNAN BALASINGAM 2010-04-29 US disclosed
US-20080207505-A1 Bna Conjugates and Methods of Use JAMES KENNETH D 2008-08-28 US disclosed
WO-2006021850-A3 CVD PRECURSOR SOLUTION USED FOR PRODUCTION OF A THIN FILM COMPRISING A LANTHANIDE SERIES METAL AND A THIN FILM PRODUCING METHOD USING THE SAME TOSHIMA MFG CO LTD (JP) 2006-10-26 WO disclosed
WO-2006021850-A2 CVD PRECURSOR SOLUTION USED FOR PRODUCTION OF A THIN FILM COMPRISING A LANTHANIDE SERIES METAL AND A THIN FILM PRODUCING METHOD USING THE SAME TOSHIMA MFG. CO. LTD. (JP) 2006-03-02 WO disclosed
WO-2006021850-A2 CVD PRECURSOR SOLUTION USED FOR PRODUCTION OF A THIN FILM COMPRISING A LANTHANIDE SERIES METAL AND A THIN FILM PRODUCING METHOD USING THE SAME TOSHIMA MFG. CO. LTD. (JP) 2006-03-02 WO disclosed
JP-H09111454-A CALCIUM SOURCE MATERIAL FOR CVD AND FILM FORMING METHOD USING THE SAME DOWA MINING CO LTD 1997-04-28 JP disclosed
JP-H0941144-A SOURCE MATERIAL FOR CVD OF RARE EARTH ELEMENT AND FILM FORMING METHOD USING THE SAME DOWA MINING CO LTD 1997-02-10 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 (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-20080207505-A1 Bna Conjugates and Methods of Use NPR1, NPPA, NPR3 USP2 4180/4885TSHR 327/4885CA2 2864/4885
US-20100105605-A1 FATTY ACID FORMULATIONS AND ORAL DELIVERY OF PROTEINS AND PEPTIDES, AND USES THEREOF FABP2, SLC27A1, SLC27A2 USP2 2951/4885TSHR 1755/4885CA2 719/4885
US-20230212207-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OTC, OCIAD1 USP2 4063/4885TSHR 4384/4885CA2 4769/4885
US-20100216714-A1 NATRIURETIC COMPOUNDS, CONJUGATES, AND USES THEREOF NPR1, NPPA, NPR3 USP2 4311/4885TSHR 261/4885CA2 3827/4885
US-20120021127-A1 MATERIAL FOR CHEMICAL VAPOR DEPOSITION AND PROCESS FOR FORMING SILICON-CONTAINING THIN FILM USING SAME GRIA4, GRIN2C, NR1H3 USP2 1489/4885TSHR 2321/4885CA2 2166/4885
US-20230263049-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OSBPL3, OCIAD1, OSBP USP2 4825/4885TSHR 1781/4885CA2 4118/4885

“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.