SCHEMBL4398043

SCHEMBL4398043

[CH2]COCCOC(=O)CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.48
ALDH1A1 P00352 5/20 0.41
TSHR P16473 3/20 0.41
THRB P10828 2/20 0.41
DGKA P23743 1/20 0.39
GAA P10253 2/20 0.38
HIF1A Q16665 3/20 0.37
TP53 P04637 2/20 0.37
HSD17B10 Q99714 1/20 0.37
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
BLM P54132 1/20 0.35
WRN Q14191 1/20 0.35
KDM4E B2RXH2 1/20 0.35
DNM1 Q05193 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA1A P35348 1/20 0.32
MGAM O43451 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
SCHEMBL4396253 0.98 NAAA (0.47) NAAAALDH1A1TSHRTHRBDGKA
SCHEMBL347888 0.85 NAAA (0.56) NAAAALDH1A1TSHRTHRBDGKA
SCHEMBL12673159 0.85 NAAA (0.56) NAAAALDH1A1TSHRTHRBDGKA
SCHEMBL181724 0.85 NAAA (0.56) NAAAALDH1A1TSHRTHRBDGKA
SCHEMBL3114270 0.85 NAAA (0.56) NAAAALDH1A1TSHRTHRBDGKA
SCHEMBL9490853 0.84 NAAA (0.47) NAAAALDH1A1TSHRTHRBDGKA
Ethylene SCHEMBL9937082 0.83 NAAA (0.58) NAAAALDH1A1TSHRTHRBDGKA
Ethylene SCHEMBL6759867 0.83 NAAA (0.58) NAAAALDH1A1TSHRTHRBDGKA
SCHEMBL50301 0.83 NAAA (0.64) NAAAALDH1A1TSHRDGKAGAA
SCHEMBL8445643 0.81 NAAA (0.52) NAAAALDH1A1TSHRTHRBDGKA

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 44 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-0390024-B1 Azodyes with a diazo component of the aminobenzoisothiazole series BASF AG (DE) 1994-06-08 EP disclosed
EP-0579192-A1 Monoazo disperse dyes and mixtures thereof DyStar Japan Ltd. (JP) 1994-01-19 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-0315899-A2 Thien-3-yl azo dyes BASF Aktiengesellschaft (DE) 1989-05-17 EP disclosed
EP-0315898-A2 Isothiazole 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 NAAA 746/4885ALDH1A1 4231/4885TSHR 3610/4885

“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.