SCHEMBL138689

SCHEMBL138689

O=C(NCCc1ccc(O)c(O)c1)NCc1ccc(O)c(O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.66
HSD17B10 Q99714 3/20 0.66
HIF1A Q16665 2/20 0.66
KDM4E B2RXH2 2/20 0.66
ALDH1A1 P00352 2/20 0.66
LMNA P02545 2/20 0.66
HPGD P15428 2/20 0.66
BLM P54132 2/20 0.66
PTGS1 P23219 1/20 0.66
ERCC1 P07992 6/20 0.56
ERCC4 Q92889 6/20 0.56
EPHX1 P07099 1/20 0.56
APP P05067 1/20 0.55
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
MAPK1 P28482 1/20 0.54
THPO P40225 1/20 0.54

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
SCHEMBL7105545 0.93 MAPT (0.74) MAPTHSD17B10HIF1AKDM4EALDH1A1
SCHEMBL175299 0.89 ERCC1 (0.66) ERCC1ERCC4TRPV1ALPL
SCHEMBL1709974 0.83 MAPT (0.71) MAPTHSD17B10HIF1AKDM4EALDH1A1
SCHEMBL30252290 0.83 MAPT (0.66) MAPTHSD17B10HIF1AKDM4EALDH1A1
SCHEMBL109163 0.82 MAPT (0.74) MAPTHSD17B10HIF1AKDM4EALDH1A1
SCHEMBL6420228 0.81 MAPT (0.72) MAPTHSD17B10HIF1AKDM4EALDH1A1
SCHEMBL107176 0.81 MAPT (0.62) MAPTHSD17B10HIF1AKDM4EALDH1A1
SCHEMBL7108607 0.80 MAPT (0.73) MAPTHSD17B10HIF1AKDM4EALDH1A1
SCHEMBL1278764 0.80 MAPT (0.73) MAPTHSD17B10HIF1AKDM4EALDH1A1
SCHEMBL10067938 0.80 TRPV1 (0.68) MAPTHSD17B10EPHX1TRPV1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754133-B2 Compounds, compositions and methods for the treatment of inflammatory diseases PROTEOTECH, INC. (US) 2014-06-17 US claimed
US-20120058998-A1 Compounds, Compositions and Methods for the Treatment of Inflammatory Diseases PROTAMED, INC. 2012-03-08 US claimed
US-20070208087-A1 Compounds, compositions and methods for the treatment of inflammatory diseases PROTEOTECH INC. 2007-09-06 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20120058998-A1 Compounds, Compositions and Methods for the Treatment of Inflammatory Diseases NR1H2, NR1H3, MSR1 MAPT 1930/4885HSD17B10 368/4885HIF1A 571/4885
US-20070208087-A1 Compounds, compositions and methods for the treatment of inflammatory diseases NR1H2, NR1H3, NR1H4 MAPT 3290/4885HSD17B10 167/4885HIF1A 588/4885

“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.