SCHEMBL16815230

SCHEMBL16815230

O=C(O)CCCCCOc1ccc2nc(-c3cc[n+](CCCCCC(=O)O)cc3)oc2c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.49
PDE3B Q13370 4/20 0.49
PDE3A Q14432 4/20 0.49
P2RY12 Q9H244 2/20 0.49
TLR9 Q9NR96 6/20 0.48
TLR7 Q9NYK1 7/20 0.47
ALDH2 P05091 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
XDH P47989 3/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ACSL1 P33121 1/20 0.43
ACSL6 Q9UKU0 1/20 0.43

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
SCHEMBL20057582 0.95 MAPT (0.48) PDE2APDE3BPDE3AP2RY12TLR9
Betaine SCHEMBL16817835 0.93 TLR7 (0.43) PDE2APDE3BPDE3AP2RY12TLR9
SCHEMBL16848747 0.92 TLR9 (0.44) PDE2APDE3BPDE3AP2RY12TLR9
SCHEMBL20057418 0.92 TLR9 (0.43) PDE2APDE3BPDE3AP2RY12TLR9
SCHEMBL16815297 0.91 TLR9 (0.43) PDE2APDE3BPDE3AP2RY12TLR9
SCHEMBL16815239 0.90 HDAC6 (0.48) TLR7KDM4EALDH1A1
Bromide SCHEMBL16817759 0.89 HDAC6 (0.47) KDM4EALDH1A1
SCHEMBL16815204 0.85 ESR2 (0.54)
Bromide SCHEMBL16817757 0.84 ESR2 (0.53)
Glycinebetaine SCHEMBL16817774 0.83 TLR7 (0.38) PDE2APDE3BPDE3AP2RY12TLR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2886542-B1 Marker dyes for UV and short-wave excitation with high Stokes shift on the basis of benzoxazoles DYOMICS GMBH (DE) 2018-04-18 EP disclosed
EP-2886542-B1 Marker dyes for UV and short-wave excitation with high Stokes shift on the basis of benzoxazoles DYOMICS GMBH (DE) 2018-04-18 EP disclosed
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
EP-2886542-A1 Marker dyes for UV and short-wave excitation with high Stokes shift on the basis of benzoxazoles Dyomics GmbH (DE) 2015-06-24 EP 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 PDE2A 4848/4885PDE3B 4834/4885PDE3A 4784/4885

“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.