SCHEMBL18544356

SCHEMBL18544356

CC(CCN)OCCOCCO

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.34
GABRR1 P24046 2/20 0.30

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
SCHEMBL23137027 0.87
SCHEMBL18544357 0.85 GABBR2 (0.31)
SCHEMBL29042231 0.84 TSHR (0.40) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL2268617 0.82 MEN1 (0.47) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL27650343 0.82 MEN1 (0.46) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL1004323 0.82 MEN1 (0.47) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL261546 0.82 MEN1 (0.47) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL19733097 0.80 MEN1 (0.44) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL20935410 0.80 TSHR (0.35) MEN1KMT2ATSHRMAPK1ALDH1A1
SCHEMBL19000738 0.79 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170051105-A1 VITAMIN FUNCTIONALIZED GEL-FORMING BLOCK COPOLYMERS FOR BIOMEDICAL APPLICATIONS INTERNATIONAL BUSINESS MACHINES CORPORATION 2017-02-23 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-20170051105-A1 VITAMIN FUNCTIONALIZED GEL-FORMING BLOCK COPOLYMERS FOR BIOMEDICAL APPLICATIONS VDR, PROC, CYP24A1 MEN1 1213/4885KMT2A 3993/4885TSHR 4511/4885

“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.