SCHEMBL13624644

SCHEMBL13624644

N#Cc1ccc(C(=O)OCCCCCC(=O)OCCOC(=O)CCCCCOC(=O)c2ccc(N=C=O)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
MMP3 P08254 1/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 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
SCHEMBL13611324 0.92 PRSS1 (0.44) PRSS1PRSS2PRSS3MAPTALDH1A1
SCHEMBL13624645 0.90 ADRB2 (0.38) HDAC1HDAC2PRSS1PRSS2PRSS3
SCHEMBL16270506 0.88 PRSS1 (0.41) PRSS1PRSS2PRSS3MAPTALDH1A1
SCHEMBL813523 0.88 PRSS1 (0.42) PRSS1PRSS2PRSS3MAPTALDH1A1
SCHEMBL14802443 0.87 PRSS1 (0.37) PRSS1PRSS2PRSS3MAPTALDH1A1
SCHEMBL13624646 0.85 TDP1 (0.44) PRSS1PRSS2PRSS3MAPTALDH1A1
SCHEMBL13624643 0.84 TDP1 (0.46) MAPTALDH1A1TDP1L3MBTL1ADRB2
SCHEMBL16270230 0.84 PRSS1 (0.35) PRSS1PRSS2PRSS3MAPTALDH1A1
SCHEMBL13611325 0.81 NPC1 (0.38) PRSS1PRSS2PRSS3MAPTALDH1A1
SCHEMBL9751347 0.81 TDP1 (0.55) PRSS1PRSS2PRSS3MAPTALDH1A1

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 HDAC1 2409/4885HDAC2 1812/4885PRSS1 75/4885

“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.