SCHEMBL1933178

SCHEMBL1933178

O=C(O)C(Cc1ccccc1)OCCOC1CCCCO1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SRR Q9GZT4 2/20 0.43
KDM4C Q9H3R0 1/20 0.41
PPARG P37231 10/20 0.39
PPARA Q07869 8/20 0.39

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
SCHEMBL13311342 0.84 SRR (0.48) SRRPPARGPPARA
SCHEMBL6487486 0.84 SRR (0.48) SRRPPARGPPARA
Cyclohexylamine SCHEMBL8637515 0.78 SRR (0.45) SRRPPARGPPARA
SCHEMBL16861248 0.78 SRR (0.47) SRR
SCHEMBL17846160 0.77 MEN1 (0.41) MEN1KMT2AKDM4C
SCHEMBL6879618 0.75 KDM4C (0.58) MEN1KMT2AKDM4C
SCHEMBL3506600 0.75 KDM4C (0.42) MEN1KMT2AKDM4C
SCHEMBL3881607 0.75 SLC6A3 (0.51)
SCHEMBL14945228 0.74 MEN1 (0.44) MEN1KMT2AKDM4C
SCHEMBL5089723 0.74 MEN1 (0.46) MEN1KMT2AKDM4C

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-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
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

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 2385/4885SRR 752/4885

“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.