SCHEMBL69532

SCHEMBL69532

NCCc1cc(N)c(O)c(O)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.54
TAAR1 Q96RJ0 4/20 0.54
KDM4E B2RXH2 3/20 0.54
ADRA2A P08913 3/20 0.54
SLC6A2 P23975 3/20 0.54
DRD2 P14416 3/20 0.54
DRD1 P21728 3/20 0.54
RECQL P46063 3/20 0.54
MAPK1 P28482 3/20 0.54
APEX1 P27695 3/20 0.54
MAPT P10636 2/20 0.54
DRD4 P21917 2/20 0.54
DRD5 P21918 2/20 0.54
DRD3 P35462 2/20 0.54
SLC6A3 Q01959 2/20 0.54
ALDH1A1 P00352 2/20 0.54
HTR1A P08908 2/20 0.54
TP53 P04637 1/20 0.54
ADRB2 P07550 1/20 0.54
CYP2D6 P10635 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
SCHEMBL328576 0.85 TDP1 (0.62) TDP1TAAR1KDM4EADRA2ASLC6A2
SCHEMBL17138365 0.85 TDP1 (0.62) TDP1TAAR1KDM4EADRA2ASLC6A2
Water SCHEMBL17686500 0.83 TDP1 (0.60) TDP1TAAR1KDM4EADRA2ASLC6A2
Hydrochloric Acid SCHEMBL3757551 0.83 TDP1 (0.64) TDP1TAAR1KDM4EADRA2ASLC6A2
Hydrochloric Acid SCHEMBL3575744 0.82 MAPT (0.42) TDP1TAAR1KDM4EADRA2ASLC6A2
Hydrochloric Acid SCHEMBL29134173 0.81 TDP1 (0.58) TDP1TAAR1KDM4EADRA2ASLC6A2
SCHEMBL10409135 0.76 TAAR1 (0.69) TDP1TAAR1KDM4EADRA2ASLC6A2
SCHEMBL28735818 0.76 TAAR1 (0.52) TDP1TAAR1KDM4EADRA2ASLC6A2
SCHEMBL1121808 0.76 TAAR1 (0.69) TDP1TAAR1KDM4EADRA2ASLC6A2
SCHEMBL29705208 0.76 TAAR1 (0.52) TDP1TAAR1KDM4EADRA2ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 US disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 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-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 TDP1 3534/4885TAAR1 1033/4885KDM4E 717/4885

“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.