SCHEMBL16848751

SCHEMBL16848751

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 6/20 0.38
PDE2A O00408 3/20 0.37
PDE3B Q13370 3/20 0.37
PDE3A Q14432 3/20 0.37
P2RY12 Q9H244 2/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
SCP2 P22307 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
TLR9 Q9NR96 2/20 0.35
ACSL1 P33121 1/20 0.35
ACSL6 Q9UKU0 1/20 0.35
ALDH2 P05091 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
TLR7 Q9NYK1 3/20 0.34
ALB P02768 1/20 0.34

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
SCHEMBL16815261 0.94 F2RL3 (0.37) F2RL3PDE2APDE3BPDE3AP2RY12
SCHEMBL16848747 0.88 TLR9 (0.44) PDE2APDE3BPDE3AP2RY12MAPT
Glycinebetaine SCHEMBL16817805 0.87 F2RL3 (0.34) F2RL3PDE2APDE3BPDE3AP2RY12
SCHEMBL16848786 0.86 F2RL3 (0.35) F2RL3PDE3BPDE3AP2RY12TP53
SCHEMBL16848750 0.86 FABP3 (0.33) TP53MAPT
SCHEMBL16815343 0.85 FABP3 (0.32)
SCHEMBL16815200 0.83 ESR1 (0.44) PDE3AMAOAALB
SCHEMBL16848749 0.83 LTB4R (0.33)
Bromide SCHEMBL16817795 0.82 ESR1 (0.43) PDE3AMAOAALB
SCHEMBL16848758 0.82 ACSL1 (0.41) F2RL3PDE2APDE3BPDE3AP2RY12

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 3165/4885PDE2A 4848/4885PDE3B 4834/4885

“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.