SCHEMBL1902160

SCHEMBL1902160

CC(=O)OCCOc1cccc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.64
ALDH1A1 P00352 2/20 0.64
HPGD P15428 2/20 0.64
TDP1 Q9NUW8 1/20 0.57
HTR1B P28222 10/20 0.56
HTR1D P28221 2/20 0.55
MCL1 Q07820 1/20 0.54
SLC6A4 P31645 2/20 0.54
HRH1 P35367 1/20 0.54
KCNA3 P22001 1/20 0.53
TSHR P16473 1/20 0.52
OGG1 O15527 1/20 0.51

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
SCHEMBL21148419 0.95 KDM4E (0.59) KDM4EALDH1A1HPGDTDP1HTR1B
SCHEMBL10597687 0.87 KDM4E (0.63) KDM4EALDH1A1HPGDTDP1HTR1B
SCHEMBL29791099 0.85 KDM4E (0.58) KDM4EALDH1A1HPGDTDP1HTR1B
SCHEMBL2033775 0.85 KDM4E (0.58) KDM4EALDH1A1HPGDTDP1HTR1B
SCHEMBL28354466 0.84 KDM4E (0.57) KDM4EALDH1A1HPGDTDP1HTR1B
SCHEMBL10030191 0.84 TDP1 (0.55) KDM4EALDH1A1HPGDTDP1
SCHEMBL10534409 0.84 KDM4E (0.57) KDM4EALDH1A1HPGDTDP1HTR1B
SCHEMBL10391163 0.84 KDM4E (0.57) KDM4EALDH1A1HPGDTDP1HTR1B
SCHEMBL19844156 0.83 ALDH1A1 (0.56) KDM4EALDH1A1HPGDTDP1HTR1B
SCHEMBL3433394 0.83 ALDH1A1 (0.55) KDM4EALDH1A1HPGDTDP1HTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011063076-A1 METHODS OF TREATING HEPATITIS C VIRUS WITH OXOACETAMIDE COMPOUNDS ITHERX PHARMACEUTICALS, INC. (US) 2011-05-26 WO disclosed
WO-2011063076-A1 METHODS OF TREATING HEPATITIS C VIRUS WITH OXOACETAMIDE COMPOUNDS ITHERX PHARMACEUTICALS, INC. (US) 2011-05-26 WO disclosed
US-20110117055-A1 Methods of Treating Hepatitis C Virus with Oxoacetamide Compounds BRS - TUSTIN SAFEGUARD ASSOCIATES II, LLC 2011-05-19 US disclosed
US-20110117055-A1 Methods of Treating Hepatitis C Virus with Oxoacetamide Compounds BRS - TUSTIN SAFEGUARD ASSOCIATES II, LLC 2011-05-19 US disclosed
US-20110117055-A1 Methods of Treating Hepatitis C Virus with Oxoacetamide Compounds BRS - TUSTIN SAFEGUARD ASSOCIATES II, LLC 2011-05-19 US disclosed
WO-2006055140-A1 ENCAPSULATED LIGHT EMITTING DIODES AND METHODS OF MAKING 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-05-26 WO disclosed
US-20060105483-A1 Encapsulated light emitting diodes and methods of making 3M INNOVATIVE PROPERTIES COMPANY 2006-05-18 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 (1 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-20110117055-A1 Methods of Treating Hepatitis C Virus with Oxoacetamide Compounds OAT, HAVCR2, OTC KDM4E 4464/4885ALDH1A1 1477/4885HPGD 2084/4885

“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.