SCHEMBL14430332

SCHEMBL14430332

O=C(O)CCC(=O)OC(COC(=O)c1ccccc1OCc1ccccc1)COC(=O)c1ccccc1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.55
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ SGMS2 Q8NHU3 3/20 0.45
▸ LMNA P02545 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ PTGER1 P34995 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ PTGER4 P35408 2/20 0.41
▸ PTGER3 P43115 2/20 0.41
▸ PTGER2 P43116 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL14430339 0.96 HTT (0.59) HTTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL17933015 0.90 HTT (0.52) HTTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL17933018 0.87 HTT (0.49) HTTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL14441288 0.84 ALDH1A1 (0.50) MEN1KMT2ANPSR1LMNAKDM4E
SCHEMBL14430331 0.79 HTT (0.66) HTTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL17935888 0.78 ADRB2 (0.52) MEN1KMT2ANPSR1LMNAKDM4E
SCHEMBL4415350 0.77 HTT (0.75) HTTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL3736043 0.76 FOLH1 (0.50) HTTALDH1A1L3MBTL1
SCHEMBL14430362 0.76 PTGS2 (0.43) MEN1KMT2ASMN1; SMN2LMNAKDM4E
SCHEMBL9574717 0.76 HTT (0.73) HTTMEN1KMT2ASMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170368185-A9 METHOD OF PREPARING DENDRITIC DRUGS CHAI MINGHUI (CN) 2017-12-28 — — US disclosed
US-9603941-B2 Method of preparing dendritic drugs CENTRAL MICHIGAN UNIVERSITY BOARD OF TRUSTEES 2017-03-28 — — US disclosed
US-9603941-B2 Method of preparing dendritic drugs CENTRAL MICHIGAN UNIVERSITY BOARD OF TRUSTEES 2017-03-28 — — US disclosed
US-20160206746-A1 METHOD OF PREPARING DENDRITIC DRUGS CHAI MINGHUI (CN) 2016-07-21 — — US disclosed
US-20070190151-A1 Method of preparing dendritic drugs CENTRAL MICHIGAN UNIVERSITY BOARD OF TRUSTEES 2007-08-16 — — 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 (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-20070190151-A1 Method of preparing dendritic drugs MYD88, TLR3, TLR6 HTT 3647/4885MEN1 3220/4885KMT2A 4308/4885
US-20160206746-A1 METHOD OF PREPARING DENDRITIC DRUGS MYD88, TLR3, TLR6 HTT 3647/4885MEN1 3220/4885KMT2A 4308/4885
US-20170368185-A9 METHOD OF PREPARING DENDRITIC DRUGS MYD88, TLR3, TLR6 HTT 3647/4885MEN1 3220/4885KMT2A 4308/4885

“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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