SCHEMBL13611338

SCHEMBL13611338

CCC(=O)OCC(=O)Nc1ccc(OCC(=O)OCCOC(=O)COc2ccc(NC(=O)COC(=O)CC)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
CYP2C19 P33261 1/20 0.58
MAPT P10636 5/20 0.57
MAPK1 P28482 2/20 0.57
ATM Q13315 1/20 0.57
ALDH1A1 P00352 3/20 0.56
POLB P06746 2/20 0.56
KDM4E B2RXH2 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HTT P42858 1/20 0.53
KLK7 P49862 1/20 0.52
SIRT5 Q9NXA8 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
GAA P10253 2/20 0.52
HPGD P15428 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50

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 0.87 MAPT (0.59) MAPTMAPK1ATMALDH1A1SMN1; SMN2
SCHEMBL11976678 0.82 CYP1A2 (0.53) CYP1A2CYP2C19MAPTMAPK1ALDH1A1
SCHEMBL13611337 0.82 HPGD (0.59) CYP1A2CYP2C19MAPTMAPK1ATM
SCHEMBL13611340 0.80 KMT2A (0.52) MAPTMAPK1ATMALDH1A1POLB
SCHEMBL13611345 0.80 KLK7 (0.51) MAPTMAPK1ATMALDH1A1SMN1; SMN2
SCHEMBL13611342 0.79 KLK7 (0.53) MAPTMAPK1ATMALDH1A1POLB
SCHEMBL10983201 0.77 KLK7 (0.61) CYP1A2MAPTMAPK1ALDH1A1POLB
SCHEMBL16270240 0.77 LMNA (0.55) MAPTMAPK1ALDH1A1POLBKDM4E
SCHEMBL832059 0.77 TP53 (0.61) MAPTMAPK1ALDH1A1POLBKDM4E
SCHEMBL10030185 0.77 HTT (0.64) CYP1A2CYP2C19MAPTMAPK1SMN1; SMN2

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 CYP1A2 4043/4885CYP2C19 3076/4885MAPT 1542/4885
US-20090292029-A1 BIOABSORBABLE POLYMERS FROM BIOABSORBABLE POLYISOCYANATES AND USES THEREOF PUF60, PFAS, UROD CYP1A2 1753/4885CYP2C19 750/4885MAPT 3527/4885

“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.