SCHEMBL1933912

SCHEMBL1933912

O=C(O)COCCOC1CCCCO1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4C Q9H3R0 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
CREBBP Q92793 2/20 0.30
EP300 Q09472 1/20 0.30

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
SCHEMBL21657581 0.98 MEN1 (0.48) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL8014306 0.92 MEN1 (0.58) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL21068785 0.87 MEN1 (0.43) MEN1KMT2AKDM4CL3MBTL1ALDH1A1
SCHEMBL23093249 0.85 MEN1 (0.49) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL3030136 0.84 MEN1 (0.48) MEN1KMT2AKDM4CL3MBTL1ALDH1A1
SCHEMBL30854404 0.84 MEN1 (0.50) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL23930447 0.83 MEN1 (0.43) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL6714850 0.82 MEN1 (0.44) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL13455405 0.82 MEN1 (0.44) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL31255467 0.82 MEN1 (0.42) MEN1KMT2AKDM4CL3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112638477-B Pyrrolo [2,3-B ] pyridine derivatives as inhibitors of influenza virus replication 共晶制药公司 2024-01-26 CN disclosed
CN-110637022-B Pyrrolopyrimidine derivatives as inhibitors of influenza virus replication 共晶制药公司 2022-09-16 CN disclosed
EP-2504327-B1 Orthoester derivatives of crown ethers as carriers for pharmaceutical and diagnostic compositions ARISGEN SA (CH) 2015-07-29 EP disclosed
EP-2504327-B1 Orthoester derivatives of crown ethers as carriers for pharmaceutical and diagnostic compositions ARISGEN SA (CH) 2015-07-29 EP disclosed
US-8624044-B2 Orthoester derivatives of crown ethers as carriers for pharmaceutical and diagnostic compositions ARISGEN SA (CH) 2014-01-07 US disclosed
US-8624044-B2 Orthoester derivatives of crown ethers as carriers for pharmaceutical and diagnostic compositions ARISGEN SA (CH) 2014-01-07 US disclosed
US-20120301401-A1 ORTHOESTER DERIVATIVES OF CROWN ETHERS AS CARRIERS FOR PHARMACEUTICAL AND DIAGNOSTIC COMPOSITIONS ARISGEN SA (CH) 2012-11-29 US disclosed
US-20120301401-A1 ORTHOESTER DERIVATIVES OF CROWN ETHERS AS CARRIERS FOR PHARMACEUTICAL AND DIAGNOSTIC COMPOSITIONS ARISGEN SA (CH) 2012-11-29 US disclosed
EP-2504327-A1 ORTHOESTER DERIVATIVES OF CROWN ETHERS AS CARRIERS FOR PHARMACEUTICAL AND DIAGNOSTIC COMPOSITIONS ArisGen SA (CH) 2012-10-03 EP disclosed
EP-2332929-A1 Orthoester derivatives of crown ethers as carriers for pharmaceutical and diagnostic compositions ArisGen SA (CH) 2011-06-15 EP disclosed
EP-2332929-A1 Orthoester derivatives of crown ethers as carriers for pharmaceutical and diagnostic compositions ArisGen SA (CH) 2011-06-15 EP disclosed
WO-2011064300-A1 ORTHOESTER DERIVATIVES OF CROWN ETHERS AS CARRIERS FOR PHARMACEUTICAL AND DIAGNOSTIC COMPOSITIONS ARISGEN SA (CH) 2011-06-03 WO disclosed
EP-1581535-B3 PYRROLOPYRIDAZINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2009-09-02 EP disclosed
EP-1581535-B9 PYRROLOPYRIDAZINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2008-03-19 EP disclosed
US-7317009-B2 Pyrrolopyridazine derivatives ASTELLAS PHARMA INC. (JP) 2008-01-08 US disclosed
EP-1581535-B1 PYRROLOPYRIDAZINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2007-10-24 EP disclosed
EP-1581535-A1 PYRROLOPYRIDAZINE DERIVATIVES Astellas Pharma Inc. (JP) 2005-10-05 EP disclosed
WO-2004063197-A1 PYRROLOPYRIDAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-29 WO 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-20120301401-A1 ORTHOESTER DERIVATIVES OF CROWN ETHERS AS CARRIERS FOR PHARMACEUTICAL AND DIAGNOSTIC COMPOSITIONS OXER1, CBR3, CBR1 MEN1 3657/4885KMT2A 2385/4885KDM4C 382/4885

“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.