SCHEMBL379260

SCHEMBL379260

C#CCOC(=O)C(CC)(CC)C(=O)OCC#C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 3/20 0.36
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ACHE P22303 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
CYP1A2 P05177 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33
NFKB1 P19838 1/20 0.33
CHRM3 P20309 1/20 0.33
THPO P40225 1/20 0.33
LMNA P02545 2/20 0.32
PMP22 Q01453 1/20 0.32
CA12 O43570 1/20 0.32

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
SCHEMBL17837019 0.90 POLB (0.36) NPC1MEN1KMT2ATSHRPOLB
SCHEMBL12755486 0.81 NPC1 (0.37) NPC1TSHRPOLBL3MBTL1ACHE
SCHEMBL27963127 0.79 NPC1 (0.36) NPC1TSHRPOLBL3MBTL1ACHE
SCHEMBL19105275 0.79 ACHE (0.36) NPC1TSHRPOLBL3MBTL1ACHE
SCHEMBL18171391 0.78 CYP4F2 (0.41) NPC1TSHRPOLBL3MBTL1ZDHHC20
SCHEMBL27657800 0.77 NPC1 (0.41) NPC1TSHRPOLBL3MBTL1ACHE
SCHEMBL2478567 0.77 NPC1 (0.41) NPC1TSHRPOLBL3MBTL1ACHE
SCHEMBL17914698 0.76 NPC1 (0.34) NPC1TSHRPOLBL3MBTL1ZDHHC20
SCHEMBL28571907 0.76 NPC1 (0.34) NPC1TSHRPOLBL3MBTL1ZDHHC20
SCHEMBL18175903 0.76 NPC1 (0.34) NPC1MEN1KMT2ATSHRPOLB

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101787135-B Reticular polymer gel based on polyethylene glycol and preparation method thereof UNIV SOUTHEAST 2013-01-02 CN claimed
CN-101787135-A Reticular polymer gel based on polyethylene glycol and preparation method thereof UNIV SOUTHEAST 2010-07-28 CN claimed
EP-2391218-B1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY SMARTCELLS INC (US) 2020-03-18 EP disclosed
CN-110734536-A preparation method of environment-friendly fluorine-containing waterborne polyurethane 临沂大学 2020-01-31 CN disclosed
US-10398781-B2 Conjugate based systems for controlled drug delivery SMARTCELLS, INC. (US) 2019-09-03 US disclosed
US-20180064824-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY MERCK SHARP & DOHME CORP. (US) 2018-03-08 US disclosed
US-9745355-B2 Binding-site modified lectins and uses thereof SMARTCELLS, INC. (US) 2017-08-29 US disclosed
US-9579391-B2 Conjugate based systems for controlled drug delivery SMARTCELLS, INC. (US) 2017-02-28 US disclosed
CN-105753965-A Conjugate Based Systems For Controlled Drug Delivery 斯马特塞尔斯公司 2016-07-13 CN disclosed
US-20160193351-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY SMARTCELLS, INC. (US) 2016-07-07 US disclosed
US-9265838-B2 Conjugate based systems for controlled drug delivery SMART CELLS, INC. (US) 2016-02-23 US disclosed
WO-2010088286-A1 SYNTHETIC CONJUGATES AND USES THEREOF SMARTCELLS, INC. (US) 2010-08-05 WO disclosed
WO-2010088261-A1 BINDING-SITE MODIFIED LECTINS AND USES THEREOF SMARTCELLS, INC. (US) 2010-08-05 WO disclosed
WO-2010088294-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY SMARTCELLS, INC. (US) 2010-08-05 WO disclosed
CN-101787135-A Reticular polymer gel based on polyethylene glycol and preparation method thereof UNIV SOUTHEAST 2010-07-28 CN disclosed
CN-100448841-C Process for preparing 2-cyclohexenone compounds UNIV ZHEJIANG (CN) 2009-01-07 CN disclosed
CN-101104587-A 2-cyclohexenone compounds UNIV ZHEJIANG (CN) 2008-01-16 CN disclosed
CN-100358857-C 2-cyclohexenone compounds and preparation method thereof UNIV ZHEJIANG (CN) 2008-01-02 CN disclosed
CN-1951903-A Process for preparing 2-cyclohexenone compounds UNIV ZHEJIANG (CN) 2007-04-25 CN disclosed
CN-1827577-A 2-cyclohexenone compounds and preparation method thereof UNIV ZHEJIANG (CN) 2006-09-06 CN 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 (3 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-10398781-B2 Conjugate based systems for controlled drug delivery SI, CSGALNACT1, CD44 NPC1 843/4885MEN1 1908/4885KMT2A 3261/4885
US-20180064824-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY SI, CSGALNACT1, CD44 NPC1 843/4885MEN1 1908/4885KMT2A 3261/4885
US-20160193351-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED DRUG DELIVERY SI, CSGALNACT1, CD44 NPC1 843/4885MEN1 1908/4885KMT2A 3261/4885

“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.