SCHEMBL2545585

SCHEMBL2545585

CCOC(=O)C(CC(c1ccccc1)[N+](=O)[O-])C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
PIN1 Q13526 1/20 0.39
MAPT P10636 5/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL2541161 0.93 MMP8 (0.46) MMP8L3MBTL1TDP1ALDH1A1GAA
SCHEMBL10800745 0.82 MMP8 (0.43) MMP8L3MBTL1GAAPIN1SMN1; SMN2
SCHEMBL2761707 0.80 MAPT (0.40) MMP8L3MBTL1TDP1ALDH1A1GAA
SCHEMBL20520440 0.75 CES2 (0.40) L3MBTL1ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL10679108 0.75 MMP8 (0.50) MMP8L3MBTL1TDP1GAAPIN1
SCHEMBL17999452 0.75 CYP3A4 (0.44) MMP8TDP1ALDH1A1MAPTMAPK1
SCHEMBL19996010 0.74 MAPT (0.37) L3MBTL1TDP1ALDH1A1GAAMAPT
SCHEMBL7640821 0.74 TDP1 (0.51) MMP8TDP1PIN1SMN1; SMN2MEN1
SCHEMBL28978165 0.74 ALDH1A1 (0.43) TDP1ALDH1A1SMN1; SMN2KMT2ACYP1A2
SCHEMBL1904899 0.72 MMP8 (0.56) MMP8TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846944-B2 Regeneration of 2,2′-cyclopropylidene-bis (oxazolines) LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) 2014-09-30 US disclosed
EP-2365967-B1 REGENERATION OF 2,2`-CYCLOPROPYLIDENE-BIS(OXAZOLINES) LATVIAN INST ORGANIC SYNTHESIS (LV) 2013-01-09 EP disclosed
CN-102292325-A Regeneration of 2, 2' -cyclopropylidene-bis (oxazolines) 2011-12-21 CN disclosed
US-20110263864-A1 REGENERATION OF 2,2'-CYCLOPROPYLIDENE-BIS (OXAZOLINES) LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) 2011-10-27 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-20110263864-A1 REGENERATION OF 2,2'-CYCLOPROPYLIDENE-BIS (OXAZOLINES) PCNA, SRD5A2, LIG3 MMP8 2172/4885L3MBTL1 4506/4885TDP1 3840/4885

“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.