SCHEMBL13611341

SCHEMBL13611341

CCC(=O)OC(C)C(=O)Nc1ccc(OCCCCCC(=O)OCCOC(=O)CCCCCOc2ccc(NC(=O)C(C)OC(=O)CC)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.55
KLK7 P49862 4/20 0.49
S1PR1 P21453 2/20 0.49
S1PR3 Q99500 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.45
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
GAA P10253 1/20 0.44
PPARA Q07869 1/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL13611339 0.80 MAPT (0.59) L3MBTL1ALDH1A1HTTMAPTGAA
SCHEMBL16270244 0.74 FAAH (0.50) RAB9AMAPTPPARA
SCHEMBL839432 0.74 LMNA (0.59) RAB9AHTTTSHR
SCHEMBL14521759 0.73 S1PR1 (0.68) S1PR1S1PR3L3MBTL1GAA
SCHEMBL14521775 0.73 S1PR1 (0.68) S1PR1S1PR3L3MBTL1GAA
SCHEMBL14520526 0.71 S1PR1 (0.61) S1PR1S1PR3L3MBTL1GAAEPHX2
SCHEMBL13933034 0.71 DGKA (0.54) L3MBTL1TSHRGAA
SCHEMBL831684 0.71 HDAC8 (0.60) RAB9AL3MBTL1ALDH1A1HTTMAPT
SCHEMBL14341527 0.71 S1PR1 (0.65) S1PR1S1PR3L3MBTL1GAA
SCHEMBL14678652 0.71 L3MBTL1 (0.59) RAB9AL3MBTL1HTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367747-B2 Bioabsorbable polymers from bioabsorbable polyisocyanates and uses thereof BEZWADA BIOMEDICAL, LLC (US) 2013-02-05 US disclosed
US-8309132-B2 Bioabsorbable polyesteramides and uses thereof BEZWADA BIOMEDICAL, LLC (US) 2012-11-13 US disclosed
US-20090292029-A1 BIOABSORBABLE POLYMERS FROM BIOABSORBABLE POLYISOCYANATES AND USES THEREOF BEZWADA BIOMEDICAL, L.L.C (US) 2009-11-26 US disclosed
US-20090285896-A1 BIOABSORBABLE POLYESTERAMIDES AND USES THEREOF BEZWADA BIOMEDICAL, LLC (US) 2009-11-19 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 (2 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-20090285896-A1 BIOABSORBABLE POLYESTERAMIDES AND USES THEREOF PAICS, UROD, PUF60 RAB9A 2810/4885KLK7 1948/4885S1PR1 3601/4885
US-20090292029-A1 BIOABSORBABLE POLYMERS FROM BIOABSORBABLE POLYISOCYANATES AND USES THEREOF PUF60, PFAS, UROD RAB9A 1879/4885KLK7 630/4885S1PR1 1503/4885

“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.