SCHEMBL18506590

SCHEMBL18506590

CC1(C)OCC(COCCOCCOCCOCCCN)O1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.49
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL1464110 0.97 CA2 (0.51) CA2TSHRSMN1; SMN2ALDH1A1TDP1
SCHEMBL12175416 0.91 CA2 (0.49) CA2TSHRSMN1; SMN2ALDH1A1TDP1
SCHEMBL27292255 0.89 CA2 (0.48) CA2TSHRSMN1; SMN2ALDH1A1TDP1
SCHEMBL470113 0.87 CA2 (0.54) CA2TSHRSMN1; SMN2ALDH1A1TDP1
SCHEMBL15418237 0.86 SMN1; SMN2 (0.56) CA2TSHRSMN1; SMN2ALDH1A1TDP1
SCHEMBL15418182 0.83 ALDH1A1 (0.58) CA2TSHRSMN1; SMN2ALDH1A1TDP1
SCHEMBL3280990 0.83 CA2 (0.36) CA2TSHRSMN1; SMN2ALDH1A1TDP1
SCHEMBL15928442 0.82 SMN1; SMN2 (0.59) CA2TSHRSMN1; SMN2ALDH1A1TDP1
SCHEMBL9972151 0.82 CA2 (0.49) CA2TSHRSMN1; SMN2ALDH1A1TDP1
SCHEMBL13248148 0.82 CA2 (0.49) CA2TSHRSMN1; SMN2ALDH1A1TDP1

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 CA2 4421/4885TSHR 2127/4885SMN1; SMN2 301/4885
US-20170043024-A1 BIOACTIVE CONJUGATES FOR OLIGONUCLEOTIDE DELIVERY DCLRE1B, RTCB, RNASE1 CA2 4421/4885TSHR 2127/4885SMN1; SMN2 301/4885
US-20190185855-A1 CONJUGATED OLIGONUCLEOTIDES DCLRE1B, DCLRE1A, TNNC1 CA2 4428/4885TSHR 1065/4885SMN1; SMN2 127/4885

“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.