SCHEMBL10123077

SCHEMBL10123077

COC(=O)CN(CC(=O)OC)c1ccc(C)cc1OCCOc1cc(CN)ccc1N(CC(=O)OC)CC(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.40
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CSNK2A1 P68400 2/20 0.36
TSHR P16473 1/20 0.36
LOXL2 Q9Y4K0 2/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 2/20 0.36
HSP90AA1 P07900 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.35
PLG P00747 1/20 0.35
KLK1 P06870 1/20 0.35
KLK6 Q92876 1/20 0.35

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
SCHEMBL14654319 0.90 TDP1 (0.47) TDP1ALDH1A1L3MBTL1TSHRKDM4E
SCHEMBL16519352 0.85 TDP1 (0.41) TDP1ALDH1A1L3MBTL1TSHRKDM4E
SCHEMBL12280905 0.85 TDP1 (0.46) TDP1ALDH1A1L3MBTL1TSHRKDM4E
SCHEMBL14654314 0.84 TDP1 (0.57) TDP1ALDH1A1L3MBTL1TSHRKDM4E
SCHEMBL15267532 0.81 TDP1 (0.39) TDP1ALDH1A1L3MBTL1TSHRKDM4E
SCHEMBL10123080 0.81 LMNA (0.48) TDP1ALDH1A1L3MBTL1MAPTHSP90AA1
SCHEMBL18973645 0.81 TDP1 (0.64) TDP1ALDH1A1L3MBTL1TSHRKDM4E
SCHEMBL15267530 0.81 TDP1 (0.43) TDP1ALDH1A1L3MBTL1TSHRKDM4E
SCHEMBL12871785 0.81 LMNA (0.48) TDP1ALDH1A1TSHRKDM4EMAPT
SCHEMBL16519353 0.80 TDP1 (0.65) TDP1ALDH1A1L3MBTL1TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9846168-B2 Fluorescent metal ion indicators with large stokes shifts Life Technologies Corporation (US) 2017-12-19 US disclosed
US-9846168-B2 Fluorescent metal ion indicators with large stokes shifts Life Technologies Corporation (US) 2017-12-19 US disclosed
US-20160305964-A1 Fluorescent Metal Ion Indicators with Large Stokes Shifts MOLECULAR PROBES, INC. 2016-10-20 US disclosed
US-20160305964-A1 Fluorescent Metal Ion Indicators with Large Stokes Shifts MOLECULAR PROBES, INC. 2016-10-20 US disclosed
US-9372181-B2 Fluorescent metal ion indicators with large stokes shifts Life Technologies Corporation (US) 2016-06-21 US disclosed
US-9372181-B2 Fluorescent metal ion indicators with large stokes shifts Life Technologies Corporation (US) 2016-06-21 US disclosed
US-20140363824-A1 Fluorescent Metal Ion Indicators with Large Stokes Shifts MOLECULAR PROBES, INC. 2014-12-11 US disclosed
US-20140363824-A1 Fluorescent Metal Ion Indicators with Large Stokes Shifts MOLECULAR PROBES, INC. 2014-12-11 US disclosed
US-8785208-B2 Fluorescent metal ion indicators with large stokes shifts Life Technologies Corporation (US) 2014-07-22 US disclosed
US-8785208-B2 Fluorescent metal ion indicators with large stokes shifts Life Technologies Corporation (US) 2014-07-22 US disclosed
US-20120009683-A1 Fluorescent Metal Ion Indicators with Large Stokes Shifts Life Technologies Corporation (US) 2012-01-12 US disclosed
US-20100196922-A1 FLUORESCENT METAL ION INDICATORS WITH LARGE STOKES SHIFTS Life Technologies Corporation (US) 2010-08-05 US disclosed
US-20090029389-A1 FLUORESCENT METAL ION INDICATORS WITH LARGE STOKES SHIFTS INVITROGEN CORPORATION (US) 2009-01-29 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 (3 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-20120009683-A1 Fluorescent Metal Ion Indicators with Large Stokes Shifts SARAF, STIM1, ORAI1 TDP1 4582/4885ALDH1A1 3754/4885L3MBTL1 3350/4885
US-20100196922-A1 FLUORESCENT METAL ION INDICATORS WITH LARGE STOKES SHIFTS SARAF, STIM1, ORAI1 TDP1 4582/4885ALDH1A1 3754/4885L3MBTL1 3350/4885
US-20160305964-A1 Fluorescent Metal Ion Indicators with Large Stokes Shifts SARAF, STIM1, ORAI1 TDP1 4582/4885ALDH1A1 3754/4885L3MBTL1 3350/4885

“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.