SCHEMBL5878417

SCHEMBL5878417

CCOC(=O)C(C)c1ccc2ccccc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.54
AKR1C2 P52895 4/20 0.54
UGT2B7 P16662 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP2D6 P10635 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KCNH2 Q12809 1/20 0.48
GAA P10253 2/20 0.48
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
MMP9 P14780 1/20 0.47
PTGS2 P35354 5/20 0.46
PTGS1 P23219 2/20 0.46
CDC42 P60953 1/20 0.46
RAC1 P63000 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL15341770 1.00 AKR1C3 (0.54) AKR1C3AKR1C2UGT2B7TDP1L3MBTL1
SCHEMBL15385462 0.87 AKR1C3 (0.54) AKR1C3AKR1C2TDP1L3MBTL1ALDH1A1
SCHEMBL6714731 0.86 AKR1C3 (0.52) AKR1C3AKR1C2TDP1L3MBTL1PTGS2
SCHEMBL8212247 0.86 AKR1C3 (0.52) AKR1C3AKR1C2TDP1L3MBTL1PTGS2
SCHEMBL11704437 0.86 ACHE (0.48) GAAALDH1A1HPGDKMT2APTGS2
SCHEMBL6378903 0.85 MMP8 (0.50) AKR1C3AKR1C2UGT2B7CYP2D6SLC6A2
SCHEMBL5345262 0.84 LMNA (0.47) AKR1C3AKR1C2UGT2B7CYP2D6SLC6A2
SCHEMBL11601521 0.84 AKR1B1 (0.69) AKR1C3AKR1C2TDP1L3MBTL1GAA
SCHEMBL3280876 0.84 TDP1 (0.71) AKR1C3AKR1C2TDP1L3MBTL1PTGS2
SCHEMBL506523 0.84 TDP1 (0.71) AKR1C3AKR1C2TDP1L3MBTL1PTGS2

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130281747-A1 COBALT PHOSPHINE ALKYL COMPLEXES FOR THE ASYMMETRIC HYDROGENATION OF ALKENES NATIONAL SCIENCE FOUNDATION 2013-10-24 US disclosed
US-20130281747-A1 COBALT PHOSPHINE ALKYL COMPLEXES FOR THE ASYMMETRIC HYDROGENATION OF ALKENES NATIONAL SCIENCE FOUNDATION 2013-10-24 US disclosed
US-7135487-B2 such as N-2-(4-Bromophenyl)propyl methanesulfonamide; sulfonamidation of the amine; glutamate receptor potentiators ELI LILLY AND COMPANY (US) 2006-11-14 US disclosed
US-20060030599-A1 SULPHONAMIDE DERIVATIVES ARNOLD MACKLIN B 2006-02-09 US disclosed
EP-1528055-A2 Sulphonamide Derivatives Eli Lilly & Company (US) 2005-05-04 EP disclosed
EP-0860428-B1 Sulphonamide derivatives LILLY CO ELI (US) 2004-12-08 EP disclosed
US-20040097499-A1 Amide, carbamate, and urea derivatives ARNOLD MACKLIN BRIAN (US) 2004-05-20 US disclosed
US-20040054009-A1 (BIS)sulfonamide derivatives KNOBELSDORF JAMES ALLEN (US) 2004-03-18 US disclosed
US-6617351-B1 Amide, carbamate, and urea derivatives ELI LILLY AND COMPANY 2003-09-09 US disclosed
US-6596716-B2 2-propane-sulphonamide derivatives ELI LILLY AND COMPANY 2003-07-22 US disclosed
US-6525099-B1 Potentiating glutamate receptor function; psychiatric and neurological disorders ELI LILLY AND COMPANY 2003-02-25 US disclosed
US-6521605-B1 Potentiating glutamate receptor function; treating such as psychiatric and neurological disorders ELI LILLY AND COMPANY 2003-02-18 US disclosed
US-20020002158-A1 Sulphonamide derivatives ARNOLD MACKLIN B (US) 2002-01-03 US disclosed
US-6303816-B1 Sulphonamide derivatives ELI LILLY AND COMPANY 2001-10-16 US disclosed
CN-1251523-A Sulfonamide derivatives LILLY CO ELI (US) 2000-04-26 CN disclosed
WO-2000006156-A1 AMIDE, CARBAMATE, AND UREA DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
EP-0976744-A1 Amide, carbamate, and urea derivatives having glutamate receptor function potentiating activity ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed
EP-0860428-A2 Sulphonamide derivatives ELI LILLY AND COMPANY (US) 1998-08-26 EP disclosed
WO-1998033496-A1 SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1998-08-06 WO disclosed
US-5292745-A Use of 4-(3-trifluoromethylphenyl)-1,2,3,6-tetrahydropyridine derivatives as free radical scavengers ELF SANOFI (FR) 1994-03-08 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-20060030599-A1 SULPHONAMIDE DERIVATIVES GRIN2C, GLRA2, GLRA1 AKR1C3 503/4885AKR1C2 580/4885UGT2B7 542/4885
US-20130281747-A1 COBALT PHOSPHINE ALKYL COMPLEXES FOR THE ASYMMETRIC HYDROGENATION OF ALKENES CPNE4, FTH1, HRH3 AKR1C3 915/4885AKR1C2 741/4885UGT2B7 3715/4885
US-20020002158-A1 Sulphonamide derivatives GRIN2C, GRM1, GRM3 AKR1C3 1023/4885AKR1C2 945/4885UGT2B7 717/4885
US-20040054009-A1 (BIS)sulfonamide derivatives GRIN2A, GRIN2B, GABRE AKR1C3 2835/4885AKR1C2 2239/4885UGT2B7 1144/4885
US-20040097499-A1 Amide, carbamate, and urea derivatives GRIN2A, GLUL, GRIK5 AKR1C3 4041/4885AKR1C2 3636/4885UGT2B7 1323/4885

“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.