SCHEMBL2993363

SCHEMBL2993363

CN(Cc1ccccc1)CC(O)COc1cccc2[nH]c3ccccc3c12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 8/20 0.69
ADRB2 P07550 6/20 0.59
DNM1 Q05193 2/20 0.59
ADRB3 P13945 5/20 0.55
ADRB1 P08588 3/20 0.55
DRD2 P14416 3/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
SLC22A2 O15244 1/20 0.53
SLC22A1 O15245 1/20 0.53
MLNR O43193 1/20 0.53
NR1I2 O75469 1/20 0.53
KCNK2 O95069 1/20 0.53
ABCB11 O95342 1/20 0.53
APP P05067 1/20 0.53
ABCB1 P08183 1/20 0.53
HTR1A P08908 1/20 0.53
ADRA2A P08913 1/20 0.53
ADORA3 P0DMS8 1/20 0.53

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
SCHEMBL2997878 0.88 TLR4 (0.59) TLR4ADRB2DNM1ADRB3ADRB1
SCHEMBL14542990 0.84 TLR4 (0.55) TLR4ADRB2DNM1ADRB3ADRB1
SCHEMBL958109 0.83 TLR4 (0.58) TLR4ADRB2DNM1ADRB3ADRB1
SCHEMBL28298480 0.83 TLR4 (1.00) TLR4
SCHEMBL3001223 0.82 TLR4 (0.55) TLR4ADRB2DNM1ADRB3ADRB1
SCHEMBL5375723 0.81 ADRB2 (0.62) TLR4ADRB2DNM1ADRB3ADRB1
SCHEMBL8199187 0.81 ADRB2 (0.67) TLR4ADRB2DNM1ADRB3ADRB1
SCHEMBL17946290 0.81 TLR4 (0.56) TLR4ADRB2DNM1ADRB3ADRB1
SCHEMBL7990563 0.80 TLR4 (0.51) TLR4ADRB2DNM1ADRB3ADRB1
SCHEMBL13206928 0.80 ADRB2 (0.71) TLR4ADRB2DNM1ADRB3ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786142-B2 Heterocyclic compounds as pSTAT3/IL-6 inhibitors ORCHID RESEARCH LABORATORIES, LTD. (IN) 2010-08-31 US claimed
EP-1945612-A2 HETEROCYCLIC COMPOUNDS AS PSTAT3/IL-6 INHIBITORS Orchid Research Laboratories Limited (IN) 2008-07-23 EP claimed
US-20070111998-A1 Novel heterocyclic compounds as pSTAT3/IL-6 inhibitors ORCHID RESEARCH LABORATORIES, LTD. (IN) 2007-05-17 US claimed
WO-2007042912-A2 HETEROCYCLIC COMPOUNDS AS PSTAT3/IL-6 INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-04-19 WO claimed
US-7786142-B2 Heterocyclic compounds as pSTAT3/IL-6 inhibitors ORCHID RESEARCH LABORATORIES, LTD. (IN) 2010-08-31 US disclosed
US-7786142-B2 Heterocyclic compounds as pSTAT3/IL-6 inhibitors ORCHID RESEARCH LABORATORIES, LTD. (IN) 2010-08-31 US disclosed
US-7786142-B2 Heterocyclic compounds as pSTAT3/IL-6 inhibitors ORCHID RESEARCH LABORATORIES, LTD. (IN) 2010-08-31 US disclosed
EP-1945612-A2 HETEROCYCLIC COMPOUNDS AS PSTAT3/IL-6 INHIBITORS Orchid Research Laboratories Limited (IN) 2008-07-23 EP disclosed
US-20070111998-A1 Novel heterocyclic compounds as pSTAT3/IL-6 inhibitors ORCHID RESEARCH LABORATORIES, LTD. (IN) 2007-05-17 US disclosed
US-20070111998-A1 Novel heterocyclic compounds as pSTAT3/IL-6 inhibitors ORCHID RESEARCH LABORATORIES, LTD. (IN) 2007-05-17 US disclosed
US-20070111998-A1 Novel heterocyclic compounds as pSTAT3/IL-6 inhibitors ORCHID RESEARCH LABORATORIES, LTD. (IN) 2007-05-17 US disclosed
WO-2007042912-A2 HETEROCYCLIC COMPOUNDS AS PSTAT3/IL-6 INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-04-19 WO 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-20070111998-A1 Novel heterocyclic compounds as pSTAT3/IL-6 inhibitors IL6, IL6ST, STAT3 TLR4 873/4885ADRB2 4160/4885DNM1 4698/4885

“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.