SCHEMBL13624641

SCHEMBL13624641

CC(OC(=O)c1ccc(C#N)cc1)C(=O)OCCOC(=O)C(C)OC(=O)c1ccc(N=C=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
TSHR P16473 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL13611323 0.91 CYP4F2 (0.43) ALDH1A1MAPTTDP1L3MBTL1SMN1; SMN2
SCHEMBL27339604 0.89 ADRB2 (0.52) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL13624645 0.88 ADRB2 (0.38) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL15375181 0.88 CYP4F2 (0.40) ALDH1A1MAPTTDP1L3MBTL1GAA
SCHEMBL14802567 0.86 CYP4F2 (0.36) ALDH1A1MAPTKMT2AMEN1TDP1
SCHEMBL863151 0.84 GAA (0.45) ALDH1A1MAPTKMT2ATDP1L3MBTL1
SCHEMBL13611330 0.84 CYP4F2 (0.37) ALDH1A1MAPTTDP1GAASMN1; SMN2
SCHEMBL15908127 0.83 CYP4F2 (0.34) ALDH1A1MAPTTDP1L3MBTL1GAA
SCHEMBL14802568 0.80 TSHR (0.35) ALDH1A1MAPTKMT2AMEN1TDP1
SCHEMBL14763128 0.80 CYP4F2 (0.34) ALDH1A1TDP1GAACYP4F2CYP4A11

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.