SCHEMBL13624648

SCHEMBL13624648

N#Cc1ccc(C(=O)OCC(=O)OCC(COC(=O)COC(=O)c2ccc(C#N)cc2)OC(=O)COC(=O)c2ccc(N=C=O)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.35
PTPN1 P18031 1/20 0.34
SERPINE1 P05121 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
HIF1A Q16665 1/20 0.33
GSK3B P49841 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
SCHEMBL13624651 1.00 ADRB2 (0.41) ADRB2ADRB1ADRB3TDP1L3MBTL1
SCHEMBL13611335 0.92 PTPN1 (0.40) L3MBTL1MAPTALDH1A1TSHRPTPN1
SCHEMBL14802505 0.87 PTPN1 (0.33) KMT2AALDH1A1MEN1SMN1; SMN2PTPN1
SCHEMBL13624643 0.86 TDP1 (0.46) ADRB2ADRB1ADRB3TDP1L3MBTL1
SCHEMBL13624646 0.84 TDP1 (0.44) ADRB2ADRB1ADRB3TDP1L3MBTL1
SCHEMBL13611320 0.76 TSHR (0.41) TDP1L3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL13611354 0.74 PRSS1 (0.47) TDP1L3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL13611326 0.74 PRSS1 (0.45) TDP1L3MBTL1KMT2AMAPTALDH1A1
SCHEMBL13624641 0.74 ADRB2 (0.44) ADRB2ADRB1ADRB3TDP1L3MBTL1
SCHEMBL13611328 0.73 SERPINE1 (0.40) TDP1L3MBTL1MAPTALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090292029-A1 BIOABSORBABLE POLYMERS FROM BIOABSORBABLE POLYISOCYANATES AND USES THEREOF BEZWADA BIOMEDICAL, L.L.C (US) 2009-11-26 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-20090292029-A1 BIOABSORBABLE POLYMERS FROM BIOABSORBABLE POLYISOCYANATES AND USES THEREOF PUF60, PFAS, UROD ADRB2 2547/4885ADRB1 2775/4885ADRB3 1615/4885

“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.