SCHEMBL4401510

SCHEMBL4401510

[CH2]CCN(C)CCC(C)C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
PIK3CD O00329 1/20 0.34
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 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
SCHEMBL3410639 0.86 ALDH1A1 (0.42) ALDH1A1PIK3CDCA12CA2CA3
SCHEMBL4396510 0.85 ALDH1A1 (0.32) ALDH1A1PIK3CD
SCHEMBL15865606 0.83 CA12 (0.44) ALDH1A1PIK3CDCA12CA2CA3
SCHEMBL29580486 0.83 CA12 (0.44) ALDH1A1PIK3CDCA12CA2CA3
SCHEMBL29580442 0.83 CA12 (0.44) ALDH1A1PIK3CDCA12CA2CA3
SCHEMBL4393982 0.81
SCHEMBL8763670 0.80
SCHEMBL9367964 0.76 CA12 (0.50) CA12CA2CA3CA4CA6
SCHEMBL10855865 0.76 OPRM1 (0.36) ALDH1A1
SCHEMBL12977413 0.76 CA12 (0.61) ALDH1A1PIK3CDCA12CA2CA3

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 34 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
CN-100401400-C Rewritable optical information recording medium and recording/reproducing method, recording/reproducing device SONY CORP MITSUI CHEMICALS INC (JP) 2008-07-09 CN 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
CN-1311988-C Imide compounds and optical recording media made by using the same MITSUI CHEMICALS INC (JP) 2007-04-25 CN disclosed
US-20070054084-A1 Optical recording medium and compound used for the same MITSUI CHEMICALS, INC. (JP) 2007-03-08 US disclosed
CN-1867980-A Optical recording medium and compound for use in the same MITSUI CHEMICALS INC (JP) 2006-11-22 CN disclosed
US-7094516-B2 Benzobisazole compound and optical recording medium containing the compound MITSUI CHEMICALS, INC. (JP) 2006-08-22 US disclosed
US-20030194646-A1 Mono-, di-, and triazaporphyrin compounds optionally in the form of a metal or metalloid complex MITSUI CHEMICALS, INC. (JP) 2003-10-16 US disclosed
US-6627288-B1 Optical recording medium and porphycene compound MITSUI CHEMICALS, INC. (JP) 2003-09-30 US disclosed
CN-1434771-A Optical recording medium and azaporphyrin compound MITSUI CHEMICALS INC (JP) 2003-08-06 CN disclosed
US-20030091931-A1 Benzbisazole compound and optical recording medium containing the compound MITSUI CHEMICALS, INC. (JP) 2003-05-15 US disclosed
CN-1406182-A Benzodiazolyl compound, optical recording medium compound MITSUI CHEMICALS INC (JP) 2003-03-26 CN disclosed
EP-1262966-A2 Optical recording medium and novel azaporphyrin compound Mitsui Chemicals, Inc. (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
CN-1338738-A Optical recording media and porphinoid compound MITSUI CHEMICALS INC (JP) 2002-03-06 CN disclosed
EP-1180765-A1 Optical recording medium and porphycene compound Mitsui Chemicals, Inc. (JP) 2002-02-20 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 4231/4885PIK3CD 3800/4885CA12 717/4885
US-20030091931-A1 Benzbisazole compound and optical recording medium containing the compound DAO, CACNA1I, KCNB2 ALDH1A1 838/4885PIK3CD 4636/4885CA12 2425/4885

“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.