SCHEMBL10121569

SCHEMBL10121569

CCCCCCC(=O)Oc1ccc2cc(C(C)C(=O)OCC(=O)OCC(=O)OCCOC(=O)CC)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.41
HTR1B P28222 1/20 0.41
ESR1 P03372 1/20 0.39
PTGS2 P35354 1/20 0.39
DGKA P23743 1/20 0.39
CA2 P00918 3/20 0.39
CNR2 P34972 2/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
THRA P10827 1/20 0.39
KMT2A Q03164 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
SCHEMBL10121565 0.93 PTGS2 (0.39) ESR1PTGS2AKR1C3AKR1C2TDP1
SCHEMBL10121509 0.91 NAAA (0.42) PTGS2AKR1C3AKR1C2TDP1L3MBTL1
SCHEMBL10144533 0.90 MTNR1A (0.39) HTR1AHTR1BPTGS2AKR1C3AKR1C2
SCHEMBL554978 0.89 PTGS2 (0.41) PTGS2AKR1C3AKR1C2TDP1L3MBTL1
SCHEMBL12135559 0.89 PTGS2 (0.43) ESR1PTGS2AKR1C3AKR1C2TDP1
SCHEMBL13199789 0.85 MTNR1A (0.41) PTGS2CA2AKR1C3AKR1C2TDP1
SCHEMBL12136650 0.85 MTNR1A (0.37) PTGS2AKR1C3AKR1C2TDP1L3MBTL1
SCHEMBL13206091 0.84 PTGS2 (0.38) PTGS2AKR1C3AKR1C2TDP1L3MBTL1
SCHEMBL555342 0.83 PTGS2 (0.42) PTGS2TDP1L3MBTL1
SCHEMBL12135489 0.83 PTGS2 (0.38) PTGS2AKR1C3AKR1C2TDP1L3MBTL1

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 HTR1A 515/4885HTR1B 1126/4885ESR1 1523/4885

“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.