SCHEMBL9964592

SCHEMBL9964592

N#COc1ccc(OCC(=O)OCCOC(=O)COc2ccc(N=C=O)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
TSHR P16473 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TBXAS1 P24557 1/20 0.34
PPARD Q03181 2/20 0.34
PPARA Q07869 2/20 0.34

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
SCHEMBL15908149 0.96 CYP1A2 (0.37) CYP3A4CYP1A2CYP2C19SMN1; SMN2BLM
SCHEMBL832556 0.90 CYP3A4 (0.46) CYP3A4CYP1A2CYP2C19SMN1; SMN2BLM
SCHEMBL9964595 0.90 L3MBTL1 (0.37) CYP3A4CYP1A2CYP2C19SMN1; SMN2BLM
SCHEMBL863376 0.88 L3MBTL1 (0.47) L3MBTL1GAAPPARDPPARA
SCHEMBL15910098 0.86 CYP3A4 (0.43) CYP3A4CYP1A2CYP2C19SMN1; SMN2BLM
SCHEMBL14802473 0.86 POLB (0.34) CYP3A4SMN1; SMN2TSHRL3MBTL1POLB
SCHEMBL16270246 0.83 HDAC1 (0.38) GAA
SCHEMBL14802570 0.83 POLB (0.33) SMN1; SMN2L3MBTL1POLBPPARDPPARA
SCHEMBL11956787 0.83 PRSS1 (0.34) CYP3A4CYP1A2CYP2C19SMN1; SMN2TSHR
SCHEMBL15371969 0.83 CYP3A4 (0.43) CYP3A4CYP1A2CYP2C19SMN1; SMN2BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE45548-E1 Functionalized drugs and polymers derived therefrom BEZWADA BIOMEDICAL, LLC (US) 2015-06-09 US disclosed
US-8846845-B2 Bioabsorbable and biocompatible polyurethanes and polyamides for medical devices BEZWADA BIOMEDICAL, LLC (US) 2014-09-30 US disclosed
US-20120158127-A1 BIOABSORBABLE AND BIOCOMPATIBLE POLYURETHANES AND POLYAMIDES FOR MEDICAL DEVICES BEZWADA BIOMEDICAL, LLC (US) 2012-06-21 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-20120158127-A1 BIOABSORBABLE AND BIOCOMPATIBLE POLYURETHANES AND POLYAMIDES FOR MEDICAL DEVICES HAO2, AOC2, AOC1 CYP3A4 785/4885CYP1A2 524/4885CYP2C19 985/4885

“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.