SCHEMBL804304

SCHEMBL804304

CCCCCCCCC1(CCCCCCCC)c2cc(-c3cc(-c4nc5ccccc5o4)c(O)c(-c4nc5ccccc5o4)c3)ccc2-c2ccc(-c3cc(-c4nc5ccccc5o4)c(O)c(-c4nc5ccccc5o4)c3)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.40
KDM6B O15054 1/20 0.40
KDM6A O15550 1/20 0.40
MAPT P10636 5/20 0.38
HSD17B10 Q99714 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 2/20 0.38
HSP90AA1 P07900 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
BCHE P06276 1/20 0.37
KDM4E B2RXH2 3/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
THRB P10828 1/20 0.36
TOP2A P11388 1/20 0.36
NPC1 O15118 1/20 0.36
FAAH O00519 2/20 0.36

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 1.00 PTGS2 (0.40) PTGS2KDM6BKDM6AMAPTHSD17B10
SCHEMBL804301 0.92 KDM6B (0.50) PTGS2KDM6BKDM6AMAPTHSD17B10
SCHEMBL804636 0.77 CNR2 (0.41) PTGS2KDM6BKDM6AMAPTHSD17B10
SCHEMBL28942264 0.72 MMP2 (0.46)
SCHEMBL536401 0.72 MMP2 (0.46)
SCHEMBL1994589 0.72 PDK2 (0.41)
SCHEMBL5906495 0.72 NPC1 (0.37) MAPTHSD17B10ALDH1A1TP53KMT2A
SCHEMBL25362290 0.72 MAOA (0.39) ALDH1A1NPSR1HPGDNPC1CHRNB4
SCHEMBL17197380 0.71 MGLL (0.44) PTGS2MAPTHSD17B10ALDH1A1TP53
SCHEMBL27964989 0.71 MGLL (0.44) PTGS2MAPTHSD17B10ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20120070378-A1 LANTHANIDE ION COMPLEXES AND IMAGING METHOD INSR, KCNH3, CA9 PTGS2 3584/4885KDM6B 4367/4885KDM6A 4002/4885

“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.