SCHEMBL19985902

SCHEMBL19985902

CC(=O)N1CCOCCOCCN(C(C)=O)CCOCCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 1.00
TSHR P16473 1/20 0.54
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA9 Q16790 1/20 0.52
USP2 O75604 1/20 0.52
PKM P14618 1/20 0.52
MEN1 O00255 1/20 0.50
TP53 P04637 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP1A2 P05177 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HTT P42858 1/20 0.48
MMP1 P03956 1/20 0.48
MMP3 P08254 1/20 0.48
MMP8 P22894 1/20 0.48
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL13921120 1.00 SMN1; SMN2 (1.00) SMN1; SMN2TSHRCA12CA1CA9
SCHEMBL13173709 1.00 SMN1; SMN2 (1.00) SMN1; SMN2TSHRCA12CA1CA9
SCHEMBL4236 0.97
SCHEMBL2187341 0.97
Hydrochloric Acid SCHEMBL5485891 0.95 SMN1; SMN2 (0.90) SMN1; SMN2TSHRCA12CA1CA9
SCHEMBL14590546 0.88 SMN1; SMN2 (0.78) SMN1; SMN2TSHRMEN1TP53KMT2A
SCHEMBL12409426 0.88 SMN1; SMN2 (0.78) SMN1; SMN2TSHRCA12CA1CA9
Methane SCHEMBL11856508 0.84 SMN1; SMN2 (0.72) SMN1; SMN2TSHRCA12CA1CA9
Morpholine SCHEMBL29136408 0.84 SMN1; SMN2 (0.72) SMN1; SMN2TSHRCA12CA1CA9
SCHEMBL7742546 0.84 SMN1; SMN2 (0.72) SMN1; SMN2TSHRCA12CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180077933-A1 Compositions and Methods for Synthetic Amphiphile-Induced Changes in Plant Root Morphology THE CURATORS OF THE UNIVERSITY OF MISSOURI 2018-03-22 US disclosed
US-20180077933-A1 Compositions and Methods for Synthetic Amphiphile-Induced Changes in Plant Root Morphology THE CURATORS OF THE UNIVERSITY OF MISSOURI 2018-03-22 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 (1 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-20180077933-A1 Compositions and Methods for Synthetic Amphiphile-Induced Changes in Plant Root Morphology STOM, PHOSPHO1, CROCC SMN1; SMN2 4412/4885TSHR 4116/4885CA12 2690/4885

“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.