SCHEMBL18506589

SCHEMBL18506589

N#CCCOCCOCCOCCO

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
TSHR P16473 2/20 0.53
MAPK1 P28482 1/20 0.53
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.35
APP P05067 5/20 0.32

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
Triethylene Glycol SCHEMBL22440710 1.00 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL4852726 1.00 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
Tetraethylene Glycol SCHEMBL22440716 1.00 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL30230572 1.00 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL2528538 0.97
Di(Hydroxyethyl)Ether SCHEMBL22440719 0.97 TSHR (0.56) MEN1KMT2ATSHRMAPK1THRB
Ethylene Glycol SCHEMBL21802491 0.89 TSHR (0.42) MEN1KMT2ATSHRMAPK1ALDH1A1
Ethylene Glycol SCHEMBL11808919 0.89 TSHR (0.42) MEN1KMT2ATSHRMAPK1ALDH1A1
SCHEMBL10867212 0.87 TSHR (0.43) MEN1KMT2ATSHRMAPK1ALDH1A1
SCHEMBL1263638 0.86 ALDH1A1 (0.47) MEN1KMT2ATSHRALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200339983-A1 BIOACTIVE CONJUGATES FOR OLIGONUCLEOTIDE DELIVERY UNIVERSITY OF MASSACHUSETTS 2020-10-29 US disclosed
US-20190185855-A1 CONJUGATED OLIGONUCLEOTIDES UNIVERSITY OF MASSACHUSETTS 2019-06-20 US disclosed
US-20170043024-A1 BIOACTIVE CONJUGATES FOR OLIGONUCLEOTIDE DELIVERY UNIVERSITY OF MASSACHUSETTS 2017-02-16 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-20200339983-A1 BIOACTIVE CONJUGATES FOR OLIGONUCLEOTIDE DELIVERY DCLRE1B, RTCB, RNASE1 MEN1 3137/4885KMT2A 4018/4885TSHR 2127/4885
US-20170043024-A1 BIOACTIVE CONJUGATES FOR OLIGONUCLEOTIDE DELIVERY DCLRE1B, RTCB, RNASE1 MEN1 3137/4885KMT2A 4018/4885TSHR 2127/4885
US-20190185855-A1 CONJUGATED OLIGONUCLEOTIDES DCLRE1B, DCLRE1A, TNNC1 MEN1 3721/4885KMT2A 3423/4885TSHR 1065/4885

“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.