SCHEMBL3280990

SCHEMBL3280990

CC1(C)OCCC(COCCCN)O1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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 0.85 CA2 (0.51) CA2TSHRSMN1; SMN2ALDH1A1TDP1
SCHEMBL27674218 0.85 SMN1; SMN2 (0.53) CA2TSHRSMN1; SMN2ALDH1A1TDP1
SCHEMBL18506590 0.83 CA2 (0.49) CA2TSHRSMN1; SMN2ALDH1A1TDP1
SCHEMBL12175416 0.79 CA2 (0.49) CA2TSHRSMN1; SMN2ALDH1A1TDP1
SCHEMBL5989989 0.78 CA2 (0.41) CA2
SCHEMBL5989992 0.78 CA2 (0.41) CA2
SCHEMBL30040716 0.75 CA2 (0.35) CA2
SCHEMBL29204050 0.75 CA2 (0.35) CA2
SCHEMBL29204089 0.75 CA2 (0.35) CA2
SCHEMBL27292255 0.75 CA2 (0.48) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087634-A1 Fluorous Oligonucleotide Reagents and Affinity Purification of Oligonucleotides BERRY & ASSOCIATES, INC. (US) 2010-04-08 US disclosed
EP-1831238-A2 FLUOROUS OLIGONUCLEOTIDE REAGENTS AND AFFINITY PURIFICATION OF OLIGONUCLEOTIDES Berry & Associates , Inc. (US) 2007-09-12 EP disclosed
US-20060178507-A1 Fluorous oligonucleotide reagents and affinity purification of oligonucleotides BERRY & ASSOCIATES, INC. 2006-08-10 US disclosed
WO-2006081035-A2 FLUOROUS OLIGONUCLEOTIDE REAGENTS AND AFFINITY PURIFICATION OF OLIGONUCLEOTIDES BERRY & ASSOCIATES, INC. (US) 2006-08-03 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 (2 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-20060178507-A1 Fluorous oligonucleotide reagents and affinity purification of oligonucleotides DCLRE1B, POLM, FBL CA2 3558/4885TSHR 628/4885SMN1; SMN2 3305/4885
US-20100087634-A1 Fluorous Oligonucleotide Reagents and Affinity Purification of Oligonucleotides DCLRE1B, POLM, FBL CA2 3558/4885TSHR 628/4885SMN1; SMN2 3305/4885

“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.