Sugi Predict

Sugi Predict / Compounds / SCHEMBL804301

SCHEMBL804301

SCHEMBL804301

CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(O)c(-c4nc5ccccc5o4)c3)ccc2-c2ccc(-c3ccc(O)c(-c4nc5ccccc5o4)c3)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM6B O15054 1/20 0.50
▸ KDM6A O15550 1/20 0.50
▸ PTGS2 P35354 1/20 0.45
▸ TOP2A P11388 1/20 0.41
▸ HSD17B10 Q99714 5/20 0.40
▸ TP53 P04637 4/20 0.40
▸ NPSR1 Q6W5P4 3/20 0.40
▸ MAPT P10636 6/20 0.39
▸ KDM4E B2RXH2 6/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ THRB P10828 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ ALOX15 P16050 1/20 0.39

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
SCHEMBL13272097 0.92 PTGS2 (0.40) KDM6BKDM6APTGS2TOP2AHSD17B10
SCHEMBL804304 0.92 PTGS2 (0.40) KDM6BKDM6APTGS2TOP2AHSD17B10
SCHEMBL8373929 0.79 KDM6B (0.77) KDM6BKDM6APTGS2TOP2AHSD17B10
SCHEMBL12763676 0.78 KDM6B (0.52) KDM6BKDM6APTGS2TOP2AHSD17B10
SCHEMBL1523062 0.78 KDM6B (0.52) KDM6BKDM6APTGS2TOP2AHSD17B10
SCHEMBL19153489 0.73 CNR1 (0.41) ESR2PTPN11
SCHEMBL1994589 0.72 PDK2 (0.41) PTPN11
SCHEMBL28942264 0.72 MMP2 (0.46) PTPN11
SCHEMBL536401 0.72 MMP2 (0.46) PTPN11
SCHEMBL5906495 0.72 NPC1 (0.37) HSD17B10TP53NPSR1MAPTKDM4E

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-9783554-B2 Lanthanide ion complexes and imaging method THE UNIVERSITY OF AKRON (US) 2017-10-10 — — US disclosed
US-9783554-B2 Lanthanide ion complexes and imaging method THE UNIVERSITY OF AKRON (US) 2017-10-10 — — US disclosed
US-20160333028-A1 LANTHANIDE ION COMPLEXES AND IMAGING METHOD THE UNIVERSITY OF AKRON 2016-11-17 — — US disclosed
US-20160333028-A1 LANTHANIDE ION COMPLEXES AND IMAGING METHOD THE UNIVERSITY OF AKRON 2016-11-17 — — US disclosed
US-20120070378-A1 LANTHANIDE ION COMPLEXES AND IMAGING METHOD THE UNIVERSITY OF AKRON (US) 2012-03-22 — — US disclosed
US-20120070378-A1 LANTHANIDE ION COMPLEXES AND IMAGING METHOD THE UNIVERSITY OF AKRON (US) 2012-03-22 — — US disclosed
WO-2010075003-A1 LANTHANIDE ION COMPLEXES AND IMAGING METHOD THE UNIVERSITY OF AKRON (US) 2010-07-01 — — 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 (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-20160333028-A1 LANTHANIDE ION COMPLEXES AND IMAGING METHOD HRH3, KCNH3, RXFP3 KDM6B 2539/4885KDM6A 2185/4885PTGS2 4155/4885
US-20120070378-A1 LANTHANIDE ION COMPLEXES AND IMAGING METHOD INSR, KCNH3, CA9 KDM6B 4367/4885KDM6A 4002/4885PTGS2 3584/4885

“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.