SCHEMBL4398485

SCHEMBL4398485

C[CH]OC(=O)OC(C)OCCCC

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
ALDH1A1 P00352 1/20 0.34
TSHR P16473 3/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 3/20 0.33
HCAR2 Q8TDS4 1/20 0.33
CA1 P00915 2/20 0.32
ESR1 P03372 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
NR1H2 P55055 1/20 0.30
RNASEL Q05823 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL1469667 0.85 ALDH1A1 (0.41) ATMALDH1A1TSHRHPGDLMNA
SCHEMBL4393312 0.82 LMNA (0.42) ALDH1A1LMNA
SCHEMBL8679164 0.82 ALDH1A1 (0.39) ATMALDH1A1TSHRHPGDLMNA
SCHEMBL1469067 0.82 ALDH1A1 (0.39) ATMALDH1A1TSHRHPGDLMNA
SCHEMBL1471852 0.80 ALDH1A1 (0.47) ATMALDH1A1TSHRHPGDLMNA
SCHEMBL8895998 0.79 ATM (0.42) ATMALDH1A1TSHRHPGDLMNA
SCHEMBL7714262 0.79 ALDH1A1 (0.36) ATMALDH1A1TSHRHPGDLMNA
SCHEMBL1469289 0.79 ALDH1A1 (0.43) ATMALDH1A1TSHRHPGDLMNA
SCHEMBL8416366 0.77 ATM (0.53) ATMALDH1A1TSHRHPGDLMNA
SCHEMBL2898516 0.77 ATM (0.53) ATMALDH1A1TSHRHPGDLMNA

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 ATM 3881/4885ALDH1A1 4231/4885TSHR 3610/4885
US-20030091931-A1 Benzbisazole compound and optical recording medium containing the compound DAO, CACNA1I, KCNB2 ATM 4099/4885ALDH1A1 838/4885TSHR 3514/4885

“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.