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
SCHEMBL13611330 0.84 CYP4F2 (0.37) ALDH1A1MAPTTDP1GAASMN1; SMN2
SCHEMBL863151 0.84 GAA (0.45) ALDH1A1MAPTKMT2ATDP1L3MBTL1
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.

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