SCHEMBL20110288

SCHEMBL20110288

O=C(CO)NCCCOCCO

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ACHE P22303 1/20 0.40
RECQL P46063 1/20 0.40
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.37
NAAA Q02083 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL10969708 0.91 TSHR (0.45) TSHRMEN1KMT2ARECQLGAA
SCHEMBL12313843 0.87 TSHR (0.46) TSHRMAPK1MEN1KMT2AACHE
SCHEMBL20822014 0.85 MEN1 (0.48) TSHRMAPK1MEN1KMT2AACHE
SCHEMBL26551714 0.84 TSHR (0.44) TSHRMEN1KMT2ARECQLALDH1A1
SCHEMBL13955338 0.82 TSHR (0.43) TSHRMEN1KMT2ARECQLALDH1A1
SCHEMBL5143610 0.82 RAB9A (0.54) TSHRMEN1KMT2AALDH1A1HTT
SCHEMBL18471595 0.81 TSHR (0.46) TSHRMAPK1ACHERECQLGAA
SCHEMBL19306452 0.81 TSHR (0.43) TSHRMAPK1MEN1KMT2AACHE
SCHEMBL20115945 0.80 MEN1 (0.45) TSHRMAPK1MEN1KMT2AGAA
SCHEMBL22932088 0.80 TSHR (0.41) TSHRMEN1KMT2ARECQLALDH1A1

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-9987369-B2 Vitamin functionalized gel-forming block copolymers for biomedical applications INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-06-05 US disclosed
US-9987369-B2 Vitamin functionalized gel-forming block copolymers for biomedical applications INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-06-05 US disclosed
US-20180117162-A1 VITAMIN FUNCTIONALIZED GEL-FORMING BLOCK COPOLYMERS FOR BIOMEDICAL APPLICATIONS INTERNATIONAL BUSINESS MACHINES CORPORATION 2018-05-03 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-20180117162-A1 VITAMIN FUNCTIONALIZED GEL-FORMING BLOCK COPOLYMERS FOR BIOMEDICAL APPLICATIONS VDR, PROC, CYP24A1 TSHR 4141/4885MAPK1 3853/4885MEN1 1042/4885

“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.