SCHEMBL4391127

SCHEMBL4391127

[CH2]COCCOC(=O)C(CC)CCCC

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.56
CA1 P00915 4/20 0.56
MAPK1 P28482 1/20 0.47
ATM Q13315 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 1/20 0.38
XBP1 P17861 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 2/20 0.37
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
DGKA P23743 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
ZDHHC7 Q9NXF8 1/20 0.34
CPB2 Q96IY4 1/20 0.34

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
SCHEMBL4391322 0.98 CA2 (0.54) CA2CA1MAPK1ATML3MBTL1
SCHEMBL80938 0.90 CA2 (0.63) CA2CA1MAPK1ATML3MBTL1
SCHEMBL8346686 0.90 CA2 (0.63) CA2CA1MAPK1ATML3MBTL1
SCHEMBL33052 0.90 CA2 (0.63) CA2CA1MAPK1ATML3MBTL1
SCHEMBL417397 0.90 CA2 (0.63) CA2CA1MAPK1ATML3MBTL1
SCHEMBL32980 0.90 CA2 (0.63) CA2CA1MAPK1ATML3MBTL1
SCHEMBL80365 0.90 CA2 (0.63) CA2CA1MAPK1ATML3MBTL1
SCHEMBL80087 0.90 CA2 (0.63) CA2CA1MAPK1ATML3MBTL1
SCHEMBL8349420 0.90 CA2 (0.63) CA2CA1MAPK1ATML3MBTL1
SCHEMBL80805 0.90 CA2 (0.63) CA2CA1MAPK1ATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME MITSUI CHEMICALS, INC. (JP) 2009-12-10 US disclosed
US-7405030-B2 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2008-07-29 US disclosed
EP-1930339-A2 Imide compound MITSUI CHEMICALS, INC. (JP) 2008-06-11 EP disclosed
US-20070259151-A1 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2007-11-08 US disclosed
US-7259260-B2 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2007-08-21 US disclosed
US-20070054084-A1 Optical recording medium and compound used for the same MITSUI CHEMICALS, INC. (JP) 2007-03-08 US disclosed
US-7094516-B2 Benzobisazole compound and optical recording medium containing the compound MITSUI CHEMICALS, INC. (JP) 2006-08-22 US disclosed
EP-1672626-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED IN THE OPTICAL RECORDING MEDIUM Mitsui Chemicals, Inc. (JP) 2006-06-21 EP disclosed
US-20060128823-A1 Radiation curable inkjet recording ink, and method of producing planographic printing plate using same, and ink composition, inkjet recording method, printed material, method of producing a planographic printing plate, and planographic printing plate FUJI PHOTO FILM CO., LTD. 2006-06-15 US disclosed
EP-1247655-B1 OPTICAL RECORDING MEDIUM AND NOVEL AZAPORPHYRIN COMPOUNDS MITSUI CHEMICALS INC (JP) 2006-05-31 EP disclosed
EP-0755052-B1 Optical recording medium MITSUI CHEMICALS INC (JP) 1999-11-17 EP disclosed
EP-0390024-B1 Azodyes with a diazo component of the aminobenzoisothiazole series BASF AG (DE) 1994-06-08 EP disclosed
EP-0315899-B1 THIEN-3-YL AZO DYES BASF Aktiengesellschaft (DE) 1993-04-07 EP disclosed
EP-0315898-B1 ISOTHIAZOLE AZO DYES BASF Aktiengesellschaft (DE) 1993-01-20 EP disclosed
US-5175265-A Useful for dyeing synthetic fibers, such as polyamides, polyesters and cellulose esters BASF AKTIENGESELLSCHAFT (DE) 1992-12-29 US disclosed
US-4994564-A Dyeing synthetic fibers in shades of red, yellow BASF AKTIENGESELLSCHAFT (DE) 1991-02-19 US disclosed
EP-0390024-A1 Azodyes with a diazo component of the aminobenzoisothiazole series BASF Aktiengesellschaft (DE) 1990-10-03 EP disclosed
US-4929720-A YELLOW DYES FOR SYNTHETIC FIBERS BASF AKTIENGESELLSCHAFT (DE) 1990-05-29 US disclosed
EP-0315898-A2 Isothiazole azo dyes BASF Aktiengesellschaft (DE) 1989-05-17 EP disclosed
EP-0315899-A2 Thien-3-yl azo dyes BASF Aktiengesellschaft (DE) 1989-05-17 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 (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-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME CACNA1B, KCNN4, KCNN2 CA2 182/4885CA1 174/4885MAPK1 657/4885

“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.