SCHEMBL16848747

SCHEMBL16848747

O=C(O)CCCCC[n+]1ccc(-c2nc3ccc(OCCCS(=O)(=O)O)cc3o2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 8/20 0.44
TLR7 Q9NYK1 7/20 0.43
PDE2A O00408 3/20 0.43
PDE3B Q13370 3/20 0.43
PDE3A Q14432 3/20 0.43
P2RY12 Q9H244 2/20 0.43
ALDH2 P05091 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
XDH P47989 3/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL16815297 0.93 TLR9 (0.43) TLR9TLR7PDE2APDE3BPDE3A
SCHEMBL16815230 0.92 PDE2A (0.49) TLR9TLR7PDE2APDE3BPDE3A
SCHEMBL20057582 0.88 MAPT (0.48) TLR9TLR7PDE2APDE3BPDE3A
SCHEMBL16848751 0.88 F2RL3 (0.38) TLR9TLR7PDE2APDE3BPDE3A
SCHEMBL20057418 0.86 TLR9 (0.43) TLR9TLR7PDE2APDE3BPDE3A
SCHEMBL16848748 0.85 S1PR1 (0.38) PDE3AMAOASMN1; SMN2
Betaine SCHEMBL16817835 0.85 TLR7 (0.43) TLR9TLR7PDE2APDE3BPDE3A
Glycinebetaine SCHEMBL16817774 0.85 TLR7 (0.38) TLR9TLR7PDE2APDE3BPDE3A
SCHEMBL16848781 0.85 TLR9 (0.41) TLR9TLR7PDE3BPDE3AP2RY12
SCHEMBL16815239 0.84 HDAC6 (0.48) TLR7POLBMAPTSMN1; SMN2

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 TLR9 368/4885TLR7 525/4885PDE2A 4848/4885

“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.