SCHEMBL6525668

SCHEMBL6525668

C=CCCCOCCOCCO

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TSHR P16473 7/20 0.48
MAPK1 P28482 1/20 0.48
MAPT P10636 2/20 0.46
THRB P10828 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 6/20 0.40
LPAR3 Q9UBY5 2/20 0.36
LPAR2 Q9HBW0 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 2/20 0.33
HIF1A Q16665 2/20 0.33
ESR1 P03372 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.32
ABCC4 O15439 1/20 0.32

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
SCHEMBL11330924 0.98
SCHEMBL6150801 0.91 MEN1 (0.54) MEN1KMT2ATSHRMAPK1MAPT
SCHEMBL1468539 0.91 MEN1 (0.54) MEN1KMT2ATSHRMAPK1MAPT
SCHEMBL826393 0.91 MEN1 (0.54) MEN1KMT2ATSHRMAPK1MAPT
SCHEMBL2530379 0.91 MEN1 (0.54) MEN1KMT2ATSHRMAPK1MAPT
SCHEMBL8897653 0.91 TSHR (0.48) MEN1KMT2ATSHRMAPK1MAPT
Di(Hydroxyethyl)Ether SCHEMBL27680359 0.90 TSHR (0.53) MEN1KMT2ATSHRMAPK1MAPT
SCHEMBL8898852 0.88 MEN1 (0.50) MEN1KMT2ATSHRMAPK1MAPT
SCHEMBL16589825 0.88 MEN1 (0.50) MEN1KMT2ATSHRMAPK1MAPT
SCHEMBL823697 0.88 MEN1 (0.50) MEN1KMT2ATSHRMAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299276-B2 Interlocked molecules and related components, compositions, methods and systems CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-10-30 US disclosed
US-8299276-B2 Interlocked molecules and related components, compositions, methods and systems CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-10-30 US disclosed
US-8299276-B2 Interlocked molecules and related components, compositions, methods and systems CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-10-30 US disclosed
US-20110065935-A1 INTERLOCKED MOLECULES AND RELATED COMPONENTS, COMPOSITIONS, MATERIALS, METHODS AND SYSTEMS NATIONAL SCIENCE FOUNDATION 2011-03-17 US disclosed
US-20110065935-A1 INTERLOCKED MOLECULES AND RELATED COMPONENTS, COMPOSITIONS, MATERIALS, METHODS AND SYSTEMS NATIONAL SCIENCE FOUNDATION 2011-03-17 US disclosed
US-20110065935-A1 INTERLOCKED MOLECULES AND RELATED COMPONENTS, COMPOSITIONS, MATERIALS, METHODS AND SYSTEMS NATIONAL SCIENCE FOUNDATION 2011-03-17 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-20110065935-A1 INTERLOCKED MOLECULES AND RELATED COMPONENTS, COMPOSITIONS, MATERIALS, METHODS AND SYSTEMS ECPAS, RAD52, ILK MEN1 550/4885KMT2A 4822/4885TSHR 4847/4885

“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.