SCHEMBL16127934

SCHEMBL16127934

C=C(C)C(=O)OCC(COC(=O)C(=C)CC(C)(C)C(=O)OCC(COC(=O)C(=C)C)OC(=O)c1ccccc1-c1ccccc1)OC(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SCN1A P35498 5/20 0.40
▸ SCN2A Q99250 5/20 0.40
▸ SCN3A Q9NY46 5/20 0.40
▸ CHRNB2 P17787 3/20 0.35
▸ CHRNB4 P30926 3/20 0.35
▸ CHRNA3 P32297 3/20 0.35
▸ CHRNA4 P43681 3/20 0.35
▸ PTGS2 P35354 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SLC6A3 Q01959 3/20 0.33
▸ BRS3 P32247 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SLC6A4 P31645 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ GAA P10253 1/20 0.31

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
SCHEMBL20885165 0.85 MTNR1A (0.33) KMT2A
SCHEMBL16127811 0.84 L3MBTL1 (0.38) MEN1KMT2ALMNA
SCHEMBL12019252 0.83 SCN1A (0.47) SCN1ASCN2ASCN3ACHRNB2CHRNB4
SCHEMBL22213482 0.80 L3MBTL1 (0.35) MEN1KMT2ALMNA
SCHEMBL18272058 0.79 CHRM3 (0.38) MEN1KMT2ALMNA
SCHEMBL18269756 0.79 LMNA (0.42) SCN1ASCN2ASCN3AMEN1KMT2A
SCHEMBL11920353 0.79 AR (0.41) MEN1KMT2ALMNAPOLB
SCHEMBL16127962 0.78 ADRB2 (0.39) KMT2ASMN1; SMN2LMNAPOLB
SCHEMBL15894730 0.78 PTPN1 (0.38) TSHRPOLB
SCHEMBL11920352 0.78 TSHR (0.44) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2976323-B1 HIGH REFRACTIVE INDEX ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES CO (US) 2020-07-15 — — EP disclosed
US-20190105237-A1 HIGH REFRACTIVE INDEX ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES CO (US) 2019-04-11 — — US disclosed
US-10195119-B2 High refractive index addition-fragmentation agents 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-02-05 — — US disclosed
US-20160279033-A1 HIGH REFRACTIVE INDEX ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES COMPANY 2016-09-29 — — US disclosed
US-20160279033-A1 HIGH REFRACTIVE INDEX ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES COMPANY 2016-09-29 — — US disclosed
WO-2014151363-A1 HIGH REFRACTIVE INDEX ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-09-25 — — 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 (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-10195119-B2 High refractive index addition-fragmentation agents EEF1G, FANCI, EEF1E1 SCN1A 4073/4885SCN2A 4139/4885SCN3A 3956/4885
US-20160279033-A1 HIGH REFRACTIVE INDEX ADDITION-FRAGMENTATION AGENTS EEF1G, FANCI, EEF1E1 SCN1A 4073/4885SCN2A 4139/4885SCN3A 3956/4885
US-20190105237-A1 HIGH REFRACTIVE INDEX ADDITION-FRAGMENTATION AGENTS EEF1G, FANCI, EEF1E1 SCN1A 4073/4885SCN2A 4139/4885SCN3A 3956/4885

“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.

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