SCHEMBL16848752

SCHEMBL16848752

O=C(O)CCCCCOc1cc2oc(-c3cc[n+](CCCCCC(=O)O)cc3)nc2cc1S(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.37
FABP4 P15090 1/20 0.37
S1PR1 P21453 4/20 0.35
LTB4R Q15722 5/20 0.35
PDE2A O00408 2/20 0.35
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
P2RY12 Q9H244 1/20 0.35
RCE1 Q9Y256 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PPARD Q03181 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL16815235 0.92 FABP3 (0.36) FABP3FABP4S1PR1LTB4RPDE2A
SCHEMBL16844909 0.91 HDAC3 (0.40) FABP4TP53SMN1; SMN2HDAC3HDAC4
SCHEMBL16848748 0.85 S1PR1 (0.38) FABP3FABP4S1PR1LTB4RPDE3A
SCHEMBL16848788 0.85
Glycinebetaine SCHEMBL16817804 0.84 CETP (0.33) FABP3FABP4S1PR1LTB4RPDE2A
SCHEMBL16848750 0.84 FABP3 (0.33) FABP3FABP4S1PR1LTB4RTP53
SCHEMBL16815320 0.83 PTPN2 (0.38) TP53SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL16815302 0.82 S1PR1 (0.37) FABP3FABP4S1PR1LTB4RPDE3A
SCHEMBL16815230 0.81 PDE2A (0.49) PDE2APDE3BPDE3AP2RY12XDH
SCHEMBL16848747 0.80 TLR9 (0.44) PDE2APDE3BPDE3AP2RY12SMN1; 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 FABP3 540/4885FABP4 1604/4885S1PR1 2914/4885

“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.