SCHEMBL5456660

SCHEMBL5456660

CC(C)(O)COCCOCCOCCOCCO

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TSHR P16473 2/20 0.50
MAPK1 P28482 1/20 0.50
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL2805801 1.00 MEN1 (0.55) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL2803264 1.00 MEN1 (0.55) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL14606164 1.00 MEN1 (0.55) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL28915215 0.98 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL28889985 0.98 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL28889927 0.98 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL30507677 0.98 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL28915206 0.98 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL30507665 0.98 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL30507684 0.95 MEN1 (0.50) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
CN-115322383-A Polytelluroxane and preparation method thereof 清华大学 2022-11-11 CN disclosed
CN-108711636-B Combined electrolyte type dual-ion rocking chair type secondary battery and preparation method thereof 南京大学 2020-01-14 CN disclosed
US-20070185353-A1 Method for producing alkylene glycol diethers CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2007-08-09 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 (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-20070185353-A1 Method for producing alkylene glycol diethers ABHD6, FAAH2, FAAH MEN1 1392/4885KMT2A 2782/4885TSHR 1946/4885
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 MEN1 3277/4885KMT2A 4465/4885TSHR 4306/4885

“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.