SCHEMBL4390836

SCHEMBL4390836

[CH2]CCCS(=O)(=O)c1ccc(C)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEP1B Q16820 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
GFER P55789 1/20 0.40
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
KDM4E B2RXH2 1/20 0.37
F2 P00734 1/20 0.37
PKM P14618 2/20 0.36

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
SCHEMBL4394138 0.89 MEP1B (0.43) ALDH1A1CYP3A4CYP2C9CYP2C19MEP1B
SCHEMBL10407445 0.84 RAPGEF4 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19MEP1B
SCHEMBL11340580 0.82 ALDH1A1 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19MEP1B
SCHEMBL4398061 0.82 MEP1B (0.45) ALDH1A1MEP1BRAPGEF4MAPTPOLB
SCHEMBL10407448 0.80 RAPGEF4 (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19MEP1B
SCHEMBL7034776 0.79 MEP1B (0.46) ALDH1A1MEP1BRAPGEF4MAPTPOLB
SCHEMBL7036105 0.79 MEP1B (0.43) ALDH1A1CYP3A4CYP2C9CYP2C19MEP1B
SCHEMBL10407436 0.77 RAPGEF4 (0.50) ALDH1A1MEP1BRAPGEF4MAPTPOLB
SCHEMBL3253706 0.77 MEP1B (0.47) ALDH1A1MEP1BRAPGEF4MAPTPOLB
SCHEMBL11775829 0.75 HTT (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19MAPT

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 9 patents. 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
EP-1672626-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED IN THE OPTICAL RECORDING MEDIUM Mitsui Chemicals, Inc. (JP) 2006-06-21 EP disclosed
US-20050208425-A1 Imide compound and optical recording media made by using the same YAMAMOTO CHEMICALS, INC. (JP) 2005-09-22 US disclosed
EP-1445115-A1 IMIDE COMPOUNDS AND OPTICAL RECORDING MEDIA MADE BY USING THE SAME Mitsui Chemicals, Inc. (JP) 2004-08-11 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 ALDH1A1 4231/4885CYP3A4 2777/4885CYP2C9 3268/4885
US-20050208425-A1 Imide compound and optical recording media made by using the same CRY1, MTNR1A, TRPA1 ALDH1A1 1336/4885CYP3A4 1620/4885CYP2C9 1903/4885

“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.