SCHEMBL13624645

SCHEMBL13624645

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
MMP3 P08254 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL13611325 0.93 NPC1 (0.38) MAPTALDH1A1TDP1L3MBTL1KMT2A
SCHEMBL13624644 0.90 HDAC1 (0.40) ADRB2ADRB1ADRB3HDAC1HDAC2
SCHEMBL14802574 0.89 STS (0.33) MAPTALDH1A1TDP1L3MBTL1KMT2A
SCHEMBL13624641 0.88 ADRB2 (0.44) ADRB2ADRB1ADRB3MAPTALDH1A1
SCHEMBL13611324 0.83 PRSS1 (0.44) MAPTALDH1A1TDP1L3MBTL1NPC1
SCHEMBL13611323 0.81 CYP4F2 (0.43) MAPTALDH1A1TDP1L3MBTL1NPC1
SCHEMBL16270506 0.80 PRSS1 (0.41) MAPTALDH1A1TDP1L3MBTL1NPC1
SCHEMBL813523 0.79 PRSS1 (0.42) MAPTALDH1A1TDP1L3MBTL1KMT2A
SCHEMBL13611330 0.78 CYP4F2 (0.37) MAPTALDH1A1TDP1NPC1RAB9A
SCHEMBL14802443 0.78 PRSS1 (0.37) MAPTALDH1A1TDP1L3MBTL1KMT2A

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.