SCHEMBL10144533

SCHEMBL10144533

CCC(=O)OCCOC(=O)COC(=O)COC(=O)C(C)c1ccc2cc(OC(=O)CCCCCON(O)O)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
PTGS2 P35354 4/20 0.37
AKR1C3 P42330 3/20 0.36
AKR1C2 P52895 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.34
HTR1A P08908 1/20 0.34
HTR1B P28222 1/20 0.34
THRA P10827 1/20 0.34
PTGS1 P23219 2/20 0.33
CDC42 P60953 1/20 0.33
RAC1 P63000 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
SLC22A6 Q4U2R8 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
SCHEMBL13199789 0.96 MTNR1A (0.41) MTNR1AMTNR1BPTGS2AKR1C3AKR1C2
SCHEMBL12136650 0.94 MTNR1A (0.37) MTNR1AMTNR1BPTGS2AKR1C3AKR1C2
SCHEMBL12136836 0.93 PTGS2 (0.39) MTNR1AMTNR1BPTGS2AKR1C3AKR1C2
SCHEMBL12136649 0.91 PTGS2 (0.42) MTNR1AMTNR1BPTGS2AKR1C3AKR1C2
SCHEMBL12136870 0.91 PTGS2 (0.40) MTNR1AMTNR1BPTGS2AKR1C3AKR1C2
SCHEMBL10121569 0.90 HTR1A (0.41) PTGS2AKR1C3AKR1C2TDP1L3MBTL1
SCHEMBL10144537 0.89 PTGS2 (0.43) MTNR1AMTNR1BPTGS2AKR1C3AKR1C2
SCHEMBL10121565 0.89 PTGS2 (0.39) MTNR1AMTNR1BPTGS2AKR1C3AKR1C2
SCHEMBL13206420 0.88 PTGS2 (0.39) MTNR1AMTNR1BPTGS2AKR1C3AKR1C2
SCHEMBL10144627 0.86 MTNR1A (0.33) MTNR1AMTNR1BPTGS2AKR1C3AKR1C2

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-8303978-B2 Controlled release of nitric oxide and drugs from functionalized macromers and oligomers BEZWADA BIOMEDICAL, LLC (US) 2012-11-06 US disclosed
US-20120035259-A1 Controlled Release of Nitric Oxide And Drugs From Functionalized Macromers And Oligomers BEZWADA BIOCHEMICAL, LLC (US) 2012-02-09 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-20120035259-A1 Controlled Release of Nitric Oxide And Drugs From Functionalized Macromers And Oligomers NOS2, NOS1, NOS3 MTNR1A 508/4885MTNR1B 1095/4885PTGS2 59/4885

“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.