SCHEMBL17637044

SCHEMBL17637044

CC(C)(C1CCC(OCC(O)CN2CCN(CC(O)COC3CCC(C(C)(C)C4CCC(OCC(O)CN5CCN(CC(O)COC6CCC(C(C)(C)C7CCC(OCC8CO8)CC7)CC6)CC5)CC4)CC3)CC2)CC1)C1CCC(OCC(O)CN2CCN(CC(O)COC3CCC(C(C)(C)C4CCC(OCC5CO5)CC4)CC3)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
TSHR P16473 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
MAPT P10636 3/20 0.52
CYP2D6 P10635 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
GAA P10253 2/20 0.51
LMNA P02545 1/20 0.51
ALDH1A1 P00352 2/20 0.47
HTR5A P47898 1/20 0.38
PRMT5 O14744 4/20 0.36
WDR77 Q9BQA1 4/20 0.36
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HRH1 P35367 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
SCHEMBL17637043 1.00 HTT (0.58) HTTL3MBTL1TSHRNPSR1MEN1
SCHEMBL15356260 0.88 MEN1 (0.45) HTTL3MBTL1TSHRNPSR1MEN1
SCHEMBL4753042 0.88 MEN1 (0.45) HTTL3MBTL1TSHRNPSR1MEN1
SCHEMBL13146717 0.85 MEN1 (0.42) HTTL3MBTL1TSHRNPSR1MEN1
SCHEMBL4753133 0.85 MEN1 (0.42) HTTL3MBTL1TSHRNPSR1MEN1
SCHEMBL19728213 0.81 MEN1 (0.40) HTTL3MBTL1TSHRNPSR1MEN1
SCHEMBL18927063 0.81 MEN1 (0.43) HTTL3MBTL1TSHRNPSR1MEN1
SCHEMBL17083647 0.80 ALDH1A1 (0.45) HTTTSHRMEN1KMT2AMAPT
SCHEMBL12957809 0.80 ALDH1A1 (0.45) HTTTSHRMEN1KMT2AMAPT
SCHEMBL50372 0.80 ALDH1A1 (0.45) HTTTSHRMEN1KMT2AMAPT

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-10040896-B2 Silane functionalized compounds and compositions thereof Hexion, Inc. (US) 2018-08-07 US disclosed
US-20160090439-A1 SILANE FUNCTIONALIZED COMPOUNDS AND COMPOSITIONS THEREOF MOMENTIVE PERFORMANCE MATERIALS INC. 2016-03-31 US disclosed
US-20160090439-A1 SILANE FUNCTIONALIZED COMPOUNDS AND COMPOSITIONS THEREOF MOMENTIVE PERFORMANCE MATERIALS INC. 2016-03-31 US disclosed
WO-2016049192-A1 SILANE FUNCTIONALIZED COMPOUNDS AND COMPOSITIONS THEREOF HEXION INC. (US) 2016-03-31 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-20160090439-A1 SILANE FUNCTIONALIZED COMPOUNDS AND COMPOSITIONS THEREOF ILK, CAD, CAPG HTT 3115/4885L3MBTL1 3165/4885TSHR 4832/4885
US-10040896-B2 Silane functionalized compounds and compositions thereof ILK, CAD, CAPG HTT 3115/4885L3MBTL1 3165/4885TSHR 4832/4885

“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.