SCHEMBL4396327

SCHEMBL4396327

C[CH]OC(=O)C(CC)CCCC

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.63
CA1 P00915 4/20 0.63
MAPK1 P28482 1/20 0.53
ATM Q13315 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 1/20 0.41
XBP1 P17861 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 3/20 0.41
CYP3A4 P08684 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 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
SCHEMBL21811215 0.85 CA2 (0.59) CA2CA1MAPK1ATML3MBTL1
SCHEMBL8376341 0.85 CA2 (0.48) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL8375328 0.85 CA2 (0.48) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL8656604 0.85 CA2 (0.63) CA2CA1MAPK1ATML3MBTL1
SCHEMBL6891311 0.83 CA2 (0.39) CA2CA1MAPK1TSHRSLC1A3
SCHEMBL35266 0.83 CA2 (0.61) CA2CA1MAPK1ATML3MBTL1
Ethylene SCHEMBL5792695 0.81 CA2 (0.59) CA2CA1MAPK1ATML3MBTL1
SCHEMBL377296 0.81 CA2 (0.54) CA2CA1MAPK1ATML3MBTL1
SCHEMBL27527833 0.80 CA2 (0.58) CA2CA1MAPK1ATML3MBTL1
SCHEMBL21924959 0.79 CA2 (0.73) CA2CA1MAPK1ATML3MBTL1

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
WO-2023180796-A1 CATALYTIC HYDROTHERMAL LIQUEFACTION OF WASTE PLASTIC, BIOMASS, IN LIGNIN CONTAINING SOLVENT FROM 2G-ETHANOL PLANT HINDUSTAN PETROLEUM CORPORATION LIMITED (IN) 2023-09-28 WO disclosed
WO-2023180798-A1 VALUABLE CHEMICALS PRODUCTION FROM CO-LIQUEFACTION OF BIOLIQUOR AND BIOMASS HINDUSTAN PETROLEUM CORPORATION LIMITED (IN) 2023-09-28 WO disclosed
WO-2023180797-A1 SOLVOTHERMAL SYNTHESIS OF HIGH QUALITY FUELS AND CHEMICALS USING PLASTIC WASTES AND LIGNIN CONTAINING LIQUOR HINDUSTAN PETROLEUM CORPORATION LIMITED (IN) 2023-09-28 WO disclosed
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-1445115-A1 IMIDE COMPOUNDS AND OPTICAL RECORDING MEDIA MADE BY USING THE SAME Mitsui Chemicals, Inc. (JP) 2004-08-11 EP 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
US-20030091931-A1 Benzbisazole compound and optical recording medium containing the compound MITSUI CHEMICALS, INC. (JP) 2003-05-15 US 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
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 CA2 182/4885CA1 174/4885MAPK1 657/4885
US-20030091931-A1 Benzbisazole compound and optical recording medium containing the compound DAO, CACNA1I, KCNB2 CA2 215/4885CA1 757/4885MAPK1 711/4885

“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.