SCHEMBL1004906

SCHEMBL1004906

OCCCc1ccc(I)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.50
CYP4A11 Q02928 2/20 0.47
LTA4H P09960 1/20 0.46
EPHX2 P34913 1/20 0.46
SIGMAR1 Q99720 2/20 0.43
SPHK2 Q9NRA0 6/20 0.42
SPHK1 Q9NYA1 6/20 0.42
PPARA Q07869 1/20 0.42
CYP4F2 P78329 1/20 0.41
CYP3A4 P08684 1/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL2307575 0.93 CA2 (0.52) CA2CYP4A11LTA4HEPHX2SPHK2
SCHEMBL1264259 0.91 CA2 (0.53) CA2CYP4A11SPHK2SPHK1CYP4F2
SCHEMBL2314633 0.91 CA2 (0.53) CA2CYP4A11SPHK2SPHK1CYP4F2
SCHEMBL7596180 0.91 CA2 (0.53) CA2CYP4A11SPHK2SPHK1CYP4F2
SCHEMBL15352379 0.91 CA2 (0.53) CA2CYP4A11SPHK2SPHK1CYP4F2
SCHEMBL16415200 0.91 CA2 (0.53) CA2CYP4A11SPHK2SPHK1CYP4F2
SCHEMBL16414507 0.91 CA2 (0.53) CA2CYP4A11SPHK2SPHK1CYP4F2
SCHEMBL1263897 0.91 CA2 (0.53) CA2CYP4A11SPHK2SPHK1CYP4F2
SCHEMBL16414974 0.91 CA2 (0.53) CA2CYP4A11SPHK2SPHK1CYP4F2
SCHEMBL16414735 0.91 CA2 (0.53) CA2CYP4A11SPHK2SPHK1CYP4F2

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 89 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118955244-A Method for preparing primary alcohol by homogeneously catalyzing and reducing carboxylic acid derivative by using N-heterocyclic carbene copper complex 延安大学 2024-11-15 CN disclosed
US-20230135188-A1 FE/CU-MEDIATED KETONE SYNTHESIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-05-04 US disclosed
US-11498892-B2 Fe/Cu-mediated ketone synthesis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-11-15 US disclosed
US-20210179522-A9 FE/CU-MEDIATED KETONE SYNTHESIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-06-17 US disclosed
EP-3020715-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2021-06-16 EP disclosed
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed
EP-3040332-B1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL CO (JP) 2020-06-03 EP disclosed
US-20200165183-A1 FE/CU-MEDIATED KETONE SYNTHESIS President and Fellows of Flarvard College (US) 2020-05-28 US disclosed
EP-2990404-B1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL CO (JP) 2020-05-27 EP disclosed
EP-3029030-B1 TETRAZOLINONE COMPOUND, AND USE THEREFOR SUMITOMO CHEMICAL CO (JP) 2019-09-04 EP disclosed
WO-2008106226-A2 MACROLIDE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2008-09-04 WO disclosed
WO-2008106204-A1 MACROLIDE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X-PHARMACEUTICALS, INC. (US) 2008-09-04 WO disclosed
EP-1921065-A1 PHENYLPYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 EP disclosed
WO-2008044667-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 WO disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 WO disclosed
US-4175544-A X-RAYS OF BODY FOR MEDICAL DIAGNOSIS Lafayette Pharmacal Inc. (US) 1979-11-27 US disclosed
US-4125554-A Iodinated thiolcarbonates and method for use as radiographic contrast agents ALCON LABORATORIES, INC. (US) 1978-11-14 US disclosed
US-4022814-A Iodine containing organic carbonates for use as radiographic agents LAFAYETTE PHARMACAL, INC. (US) 1977-05-10 US 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 (5 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-20210179522-A9 FE/CU-MEDIATED KETONE SYNTHESIS TKT, COASY, FECH CA2 1164/4885CYP4A11 423/4885LTA4H 3714/4885
US-20200165183-A1 FE/CU-MEDIATED KETONE SYNTHESIS TKT, COASY, FECH CA2 1164/4885CYP4A11 423/4885LTA4H 3714/4885
US-11498892-B2 Fe/Cu-mediated ketone synthesis TKT, COASY, FECH CA2 1164/4885CYP4A11 423/4885LTA4H 3714/4885
US-20230135188-A1 FE/CU-MEDIATED KETONE SYNTHESIS TKT, COASY, FECH CA2 1164/4885CYP4A11 423/4885LTA4H 3714/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 CA2 1149/4885CYP4A11 183/4885LTA4H 1168/4885

“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.