SCHEMBL4396889

SCHEMBL4396889

[CH2]COC(=O)OCCOCC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
THRB P10828 1/20 0.35
ALDH1A1 P00352 3/20 0.32
TP53 P04637 2/20 0.32
TSHR P16473 2/20 0.32
HIF1A Q16665 2/20 0.32
HSD17B10 Q99714 1/20 0.32
PLA2G2C Q5R387 1/20 0.32
EPHX2 P34913 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
SCHEMBL22735038 0.90 HTT (0.43) HTTTHRBALDH1A1TP53TSHR
SCHEMBL17489563 0.84 HTT (0.39) HTTTHRBALDH1A1TP53TSHR
SCHEMBL698633 0.81 HTT (0.48) HTTALDH1A1TSHRHSD17B10
SCHEMBL22735064 0.81 ALDH1A1 (0.50) HTTTHRBALDH1A1TSHRHSD17B10
SCHEMBL4391258 0.81 THRB (0.35) THRBALDH1A1TP53TSHRHIF1A
SCHEMBL22735045 0.78 HTT (0.42) HTTTHRBALDH1A1TSHRPLA2G2C
SCHEMBL22735056 0.74 HTT (0.38) HTTTHRBALDH1A1TSHRPLA2G2C
SCHEMBL9871377 0.74
SCHEMBL4393313 0.74 ALDH1A1 (0.56) THRBALDH1A1TP53TSHRHIF1A
SCHEMBL6730205 0.74 ALDH1A1 (0.56) HTTTHRBALDH1A1TSHRHSD17B10

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 30 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
US-6627288-B1 Optical recording medium and porphycene compound MITSUI CHEMICALS, INC. (JP) 2003-09-30 US disclosed
US-20030091931-A1 Benzbisazole compound and optical recording medium containing the compound MITSUI CHEMICALS, INC. (JP) 2003-05-15 US disclosed
US-20030077541-A1 Storage stability; workability; for lithographic printing plate which is highly sensitive to short oscillation wavelengths of semiconductor laser FUJIFILM CORPORATION (JP) 2003-04-24 US disclosed
EP-1262966-A2 Optical recording medium and novel azaporphyrin compound Mitsui Chemicals, Inc. (JP) 2002-12-04 EP disclosed
EP-1262829-A1 Photosensitive composition FUJI PHOTO FILM CO., LTD. (JP) 2002-12-04 EP disclosed
EP-1247655-A1 OPTICAL RECORDING MEDIUM AND NOVEL AZAPORPHYRIN COMPOUNDS Mitsui Chemicals, Inc. (JP) 2002-10-09 EP disclosed
EP-1245571-A1 BENZBISAZOLE COMPOUND AND OPTICAL RECORDING MEDIUM CONTAINING THE COMPOUND Mitsui Chemicals, Inc. (JP) 2002-10-02 EP disclosed
EP-1180765-A1 Optical recording medium and porphycene compound Mitsui Chemicals, Inc. (JP) 2002-02-20 EP disclosed
EP-0755052-B1 Optical recording medium MITSUI CHEMICALS INC (JP) 1999-11-17 EP disclosed
EP-0755052-A2 Optical recording medium MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1997-01-22 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 (2 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 HTT 2128/4885THRB 3053/4885ALDH1A1 4231/4885
US-20030091931-A1 Benzbisazole compound and optical recording medium containing the compound DAO, CACNA1I, KCNB2 HTT 3295/4885THRB 1264/4885ALDH1A1 838/4885

“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.