SCHEMBL14430331

SCHEMBL14430331

O=C(OCC(O)COC(=O)c1ccccc1OCc1ccccc1)c1ccccc1OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.66
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ SGMS2 Q8NHU3 3/20 0.54
▸ ADRB2 P07550 3/20 0.52
▸ ADRB1 P08588 3/20 0.52
▸ ADRB3 P13945 3/20 0.52
▸ NPC1 O15118 1/20 0.51
▸ LMNA P02545 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ PTGER1 P34995 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ FAAH O00519 1/20 0.48
▸ CNR1 P21554 1/20 0.48
▸ CNR2 P34972 1/20 0.48
▸ MAPT P10636 1/20 0.48

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
SCHEMBL4415350 0.86 HTT (0.75) HTTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL9574717 0.84 HTT (0.73) HTTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL14430339 0.82 HTT (0.59) HTTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL340937 0.82 HTT (0.69) HTTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL28082064 0.81 HTT (0.68) HTTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL10599264 0.80 HTT (0.50) HTTADRB2ADRB1ADRB3L3MBTL1
SCHEMBL14430332 0.79 HTT (0.55) HTTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL978857 0.78 HTT (0.64) HTTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL29687865 0.78 ALDH1A1 (0.65) HTTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL2844752 0.78 HTT (0.64) 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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