SCHEMBL16848749

SCHEMBL16848749

O=C(O)CCCCC[n+]1ccc(-c2nc3cc(Cl)c(OCCCS(=O)(=O)O)c(Cl)c3o2)c(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.33
S1PR1 P21453 3/20 0.32
PDE4B Q07343 4/20 0.31
PYGL P06737 1/20 0.30
FABP3 P05413 1/20 0.30
FABP4 P15090 1/20 0.30

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
SCHEMBL20057584 0.89 LTB4R (0.32) LTB4RS1PR1PDE4BFABP3FABP4
SCHEMBL16848785 0.87
SCHEMBL16815255 0.83 S1PR1 (0.32) LTB4RS1PR1
Bromide SCHEMBL16817794 0.83 ACHE (0.33) LTB4RS1PR1
SCHEMBL16848751 0.83 F2RL3 (0.38)
SCHEMBL16848750 0.81 FABP3 (0.33) LTB4RS1PR1FABP3FABP4
SCHEMBL16815343 0.79 FABP3 (0.32) S1PR1FABP3FABP4
SCHEMBL16815261 0.76 F2RL3 (0.37)
SCHEMBL16848748 0.75 S1PR1 (0.38) LTB4RS1PR1FABP3FABP4
SCHEMBL16815335 0.75 ESR1 (0.36)

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 LTB4R 2296/4885S1PR1 2914/4885PDE4B 4821/4885

“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.