SCHEMBL16848786

SCHEMBL16848786

O=C(CCCCC[n+]1ccc(-c2nc3ccc(OCCCS(=O)(=O)O)cc3o2)c(Cl)c1)ON1C(=O)CCC1=O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 8/20 0.35
TLR9 Q9NR96 8/20 0.33
TLR7 Q9NYK1 3/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
P2RY12 Q9H244 1/20 0.31

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
SCHEMBL20057403 0.94 F2RL3 (0.34) F2RL3TLR9TLR7TP53MAPT
SCHEMBL16848781 0.90 TLR9 (0.41) F2RL3TLR9TLR7PDE3BPDE3A
SCHEMBL16848767 0.88
SCHEMBL16848751 0.86 F2RL3 (0.38) F2RL3TLR9TLR7TP53MAPT
SCHEMBL20057601 0.86
SCHEMBL16848785 0.85
SCHEMBL16848790 0.84 TLR9 (0.35) F2RL3TLR9TLR7
SCHEMBL16848768 0.83 TLR9 (0.45) F2RL3TLR9TLR7PDE3BPDE3A
SCHEMBL16848766 0.82 CETP (0.31)
SCHEMBL16848773 0.81 ATP4A (0.35) PDE3BPDE3AP2RY12

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-9453010-B2 Marker dyes for UV and short wave excitation with high stokes shift based on benzoxazoles DYOMICS GMBH (DE) 2016-09-27 US disclosed
US-20150175591-A1 MARKER DYES FOR UV AND SHORT WAVE EXCITATION WITH HIGH STOKES SHIFT BASED ON BENZOXAZOLES DYOMICS GMBH (DE) 2015-06-25 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-20150175591-A1 MARKER DYES FOR UV AND SHORT WAVE EXCITATION WITH HIGH STOKES SHIFT BASED ON BENZOXAZOLES NR2E3, H1-10, NR0B1 F2RL3 3165/4885TLR9 368/4885TLR7 525/4885

“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.