SCHEMBL408177

SCHEMBL408177

CC(C)(C)C(=O)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
RECQL P46063 1/20 0.40
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
HSD11B1 P28845 3/20 0.37
GAA P10253 1/20 0.37
EPHX1 P07099 2/20 0.36
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
LMNA P02545 1/20 0.35
HSD11B2 P80365 1/20 0.34

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
SCHEMBL13246768 1.00 CES2 (0.50) CES2CES1SMN1; SMN2HSD17B10HDAC8
SCHEMBL12895713 1.00 CES2 (0.50) CES2CES1SMN1; SMN2HSD17B10HDAC8
SCHEMBL22060690 1.00 CES2 (0.50) CES2CES1SMN1; SMN2HSD17B10HDAC8
SCHEMBL10017928 0.97 CES2 (0.46) CES2CES1SMN1; SMN2HSD17B10HDAC8
SCHEMBL23507210 0.95 CES2 (0.43) CES2CES1SMN1; SMN2HSD17B10HDAC8
SCHEMBL8232365 0.92 SMN1; SMN2 (0.40) CES2CES1SMN1; SMN2HSD17B10HDAC8
SCHEMBL16704552 0.86 POLB (0.37) CES2CES1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL18751737 0.86 POLB (0.37) CES2CES1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL18768899 0.86 POLB (0.37) CES2CES1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL6140852 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858940-B2 Selective modulators of mutant LRRK2 proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2024-01-02 US disclosed
CN-114249639-B Method for efficiently and selectively catalyzing degradation cyclization of polyketone (ester) 复旦大学 2023-12-22 CN disclosed
US-20230398223-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-12-14 US disclosed
US-11802105-B2 Treprostinil derivatives and compositions and uses thereof Corsair Pharma, Inc. (US) 2023-10-31 US disclosed
US-11802105-B2 Treprostinil derivatives and compositions and uses thereof Corsair Pharma, Inc. (US) 2023-10-31 US disclosed
US-11732259-B2 Peptide oligonucleotide conjugates SAREPTA THERAPEUTICS, INC. (US) 2023-08-22 US disclosed
US-11731967-B2 Inhibitors of TRIM33 and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-22 US disclosed
US-11731967-B2 Inhibitors of TRIM33 and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-22 US disclosed
US-11723980-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-08-15 US disclosed
US-11718628-B2 SREBP inhibitors comprising a 6-membered central ring CAPULUS THERAPEUTICS, LLC (US) 2023-08-08 US disclosed
US-20090053172-A1 HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS AQUINO CHRISTOPHER JOSEPH 2009-02-26 US disclosed
US-7452992-B2 inhibition of HIV replication, the prevention or treatment of an HIV infection, and in the treatment of the resulting acquired immune deficiency syndrome (AIDS); 1-((1R,5S)-8-{2-[3-(2,2-dimethylpropanoyl)-6-phenyl-1,3-oxazinan-6-yl]ethyl}-8-azabicyclo[3.2.1]oct-3-yl)-2-methyl-1H-benzimidazole SMITHKLINE BEECHAM CORPORATION (US) 2008-11-18 US disclosed
US-7452992-B2 inhibition of HIV replication, the prevention or treatment of an HIV infection, and in the treatment of the resulting acquired immune deficiency syndrome (AIDS); 1-((1R,5S)-8-{2-[3-(2,2-dimethylpropanoyl)-6-phenyl-1,3-oxazinan-6-yl]ethyl}-8-azabicyclo[3.2.1]oct-3-yl)-2-methyl-1H-benzimidazole SMITHKLINE BEECHAM CORPORATION (US) 2008-11-18 US disclosed
US-7342016-B2 Farnesyl protein transferase inhibitors as antitumor agents SCHERING CORPORATION (US) 2008-03-11 US disclosed
US-7271172-B2 Pyrrolidine and azetidine compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2007-09-18 US disclosed
US-7199265-B2 Thyroid receptor ligands, pharmaceutical compositions comprising them and their use in the treatment of disorders influenced by thyroid hormones KARO BIO AB (SE) 2007-04-03 US disclosed
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2007-01-18 US disclosed
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2007-01-18 US disclosed
EP-0494639-A2 Hindered amine light stabilizer hydrazides for stabilizing polyurethane, polyurea and polyurethane-polyurea polymers ELF ATOCHEM NORTH AMERICA, INC. (US) 1992-07-15 EP disclosed
EP-0434080-A1 Derivatives of N-hals-substituted amic acid hydrazides ELF ATOCHEM NORTH AMERICA, INC. (US) 1991-06-26 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 (9 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-11718628-B2 SREBP inhibitors comprising a 6-membered central ring SREBF1, SREBF2, XBP1 CES2 2259/4885CES1 168/4885SMN1; SMN2 4012/4885
US-11731967-B2 Inhibitors of TRIM33 and methods of use TRIM33, TRIM28, TRIM4 CES2 3614/4885CES1 1784/4885SMN1; SMN2 639/4885
US-20090053172-A1 HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS CCR5, CXCR3, CCR1 CES2 1277/4885CES1 1540/4885SMN1; SMN2 4376/4885
US-11723980-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 CES2 1669/4885CES1 1136/4885SMN1; SMN2 2647/4885
US-11802105-B2 Treprostinil derivatives and compositions and uses thereof PTGIS, PTGIR, PDE3A CES2 922/4885CES1 659/4885SMN1; SMN2 3016/4885
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors CETP, NPC1, DBI CES2 247/4885CES1 20/4885SMN1; SMN2 3792/4885
US-11858940-B2 Selective modulators of mutant LRRK2 proteolysis and associated methods of use LRRK2, ADRM1, CRBN CES2 3266/4885CES1 4253/4885SMN1; SMN2 464/4885
US-20230398223-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 CES2 1669/4885CES1 1136/4885SMN1; SMN2 2647/4885
US-11732259-B2 Peptide oligonucleotide conjugates SNRPE, SMN1; SMN2, UPF1 CES2 3323/4885CES1 1659/4885SMN1; SMN2 2/4885

“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.