SCHEMBL1864603

SCHEMBL1864603

CCOC(=O)C1=CC2(CCC1S(=O)(=O)Nc1ccc(OC)cc1OC)OCCO2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MAPT P10636 4/20 0.44
TLR4 O00206 5/20 0.44
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 3/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.38
MEN1 O00255 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TP53 P04637 2/20 0.38

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
SCHEMBL1867680 0.91 TLR4 (0.51) KMT2AMAPTTLR4ALDH1A1POLB
SCHEMBL1864914 0.89 TLR4 (0.43) MAPTTLR4ALDH1A1POLBLMNA
SCHEMBL1866516 0.85 TLR4 (0.45) KMT2AMAPTTLR4ALDH1A1MEN1
SCHEMBL1868580 0.84 MRGPRX1 (0.45) KMT2AMAPTTLR4ALDH1A1LMNA
SCHEMBL1863967 0.83 TLR4 (0.55) TLR4THRBHSD17B10TP53
SCHEMBL1864530 0.83 TLR4 (0.55) KMT2AMAPTTLR4ALDH1A1POLB
SCHEMBL1864322 0.83 TLR4 (0.55) TLR4LMNAKDM4E
SCHEMBL1864126 0.83 TLR4 (0.54) TLR4LMNAKDM4EHSD17B10
SCHEMBL1863950 0.83 TLR4 (0.44) KMT2AMAPTTLR4ALDH1A1MEN1
SCHEMBL1865330 0.83 TLR4 (0.54) MAPTTLR4ALDH1A1POLBLMNA

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
US-RE43858-E1 Substituted cycloalkene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-12-11 US disclosed
US-7935835-B2 Substituted cycloalkene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-03 US disclosed
US-7935835-B2 Substituted cycloalkene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-03 US disclosed
US-20090233952-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US disclosed
US-20090233952-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US disclosed
EP-1935879-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2008-06-25 EP disclosed
EP-1935879-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2008-06-25 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 (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-20090233952-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE CD40, LITAF, TNF KMT2A 4559/4885MAPT 4856/4885TLR4 29/4885

“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.