SCHEMBL830839

SCHEMBL830839

O=CN(OCCO)c1ccc(OCC(=O)OCCOC(=O)COc2ccc(NC(=O)OCCO)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 3/20 0.44
TSHR P16473 3/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
TP53 P04637 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 7/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MCL1 Q07820 2/20 0.41
HPGD P15428 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 2/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL830838 0.85 NPC1 (0.59) RAB9ASMN1; SMN2NPC1TSHRMEN1
SCHEMBL831142 0.77 TP53 (0.53) RAB9ASMN1; SMN2NPC1TSHRMEN1
SCHEMBL10800748 0.77 NPC1 (0.61) RAB9ASMN1; SMN2NPC1TSHRMEN1
SCHEMBL832150 0.75 TP53 (0.51) RAB9ASMN1; SMN2NPC1TSHRMEN1
SCHEMBL831634 0.74 TP53 (0.48) RAB9ASMN1; SMN2NPC1TSHRMEN1
SCHEMBL832059 0.73 TP53 (0.61) RAB9ASMN1; SMN2NPC1TSHRMEN1
SCHEMBL11976678 0.70 CYP1A2 (0.53) RAB9ASMN1; SMN2NPC1TSHRMEN1
SCHEMBL830549 0.69 LMNA (0.52) TP53LMNAHTT
SCHEMBL16270240 0.68 LMNA (0.55) RAB9ASMN1; SMN2NPC1TSHRMEN1
SCHEMBL7995865 0.66 NPC1 (0.67) RAB9ASMN1; SMN2NPC1TSHRMEN1

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 8 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-8409559-B2 Functionalized drugs and polymers derived therefrom Bezwada Biomedical, Inc. (US) 2013-04-02 US disclosed
US-8143325-B2 Bioabsorbable and biocompatible polyurethanes and polyamides for medical devices BEZWADA BIOMEDICAL, LLC (US) 2012-03-27 US disclosed
US-20100152272-A1 FUNCTIONALIZED DRUGS AND POLYMERS THEREFROM BEZWADA BIOMEDICAL, LLC (US) 2010-06-17 US disclosed
US-7691364-B2 Functionalized drugs and polymers derived therefrom BEZWADA BIOMEDICAL, LLC (US) 2010-04-06 US disclosed
EP-1931334-A2 FUNCTIONALIZED DRUGS AND POLYMERS DERIVED THEREFROM Bezwada Biomedical LLC (US) 2008-06-18 EP disclosed
WO-2007030538-A2 FUNCTIONALIZED DRUGS AND POLYMERS DERIVED THEREFROM BEZWADA BIOMEDICAL LLC (US) 2007-03-15 WO disclosed
US-20060172983-A1 Functionalized drugs and polymers derived therefrom BEZWADA BIOMEDICAL, LLC (US) 2006-08-03 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-20100152272-A1 FUNCTIONALIZED DRUGS AND POLYMERS THEREFROM OGFR, LOX, DDO RAB9A 4857/4885SMN1; SMN2 3734/4885NPC1 3093/4885
US-20060172983-A1 Functionalized drugs and polymers derived therefrom OGFR, LOX, OPRM1 RAB9A 4852/4885SMN1; SMN2 3370/4885NPC1 2857/4885

“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.