SCHEMBL10046408

SCHEMBL10046408

CCCOCCOCCOCCNC(=O)COCC(=O)NCCOCCOCCOCCNC(=O)COCC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHX2 P34913 1/20 0.40
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
FAAH O00519 1/20 0.37
GLP1R P43220 8/20 0.36
NCF1 P14598 1/20 0.35
CA2 P00918 4/20 0.35
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA4 P22748 3/20 0.35
CA9 Q16790 3/20 0.35
CA14 Q9ULX7 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
TLR2 O60603 1/20 0.33
SLC9A3 P48764 1/20 0.33

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
SCHEMBL10046334 1.00 MEN1 (0.41) MEN1KMT2AEPHX2TSHRRECQL
SCHEMBL10001388 1.00 MEN1 (0.41) MEN1KMT2AEPHX2TSHRRECQL
SCHEMBL13014692 1.00 MEN1 (0.41) MEN1KMT2AEPHX2TSHRRECQL
SCHEMBL11933675 0.98 EPHX2 (0.41) MEN1KMT2AEPHX2TSHRRECQL
SCHEMBL15494035 0.97 MEN1 (0.41) MEN1KMT2AEPHX2TSHRRECQL
SCHEMBL7951389 0.93 MEN1 (0.41) MEN1KMT2ATSHRRECQLFAAH
SCHEMBL13870366 0.92 ALDH1A1 (0.40) MEN1KMT2AEPHX2TSHRRECQL
SCHEMBL10046330 0.92 ALDH1A1 (0.40) MEN1KMT2AEPHX2TSHRRECQL
SCHEMBL13007887 0.92 MEN1 (0.40) MEN1KMT2AEPHX2TSHRRECQL
SCHEMBL10046331 0.92 ALDH1A1 (0.40) MEN1KMT2AEPHX2TSHRRECQL

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-8299030-B2 Peptide-based compounds GE HEALTHCARE LIMITED (GB) 2012-10-30 US disclosed
US-20120020882-A1 PEPTIDE-BASED COMPOUNDS GE HEALTHCARE AS (NO) 2012-01-26 US disclosed
US-20110123445-A1 TREATMENT MONITORING GE HEALTHCARE LIMITED (GB) 2011-05-26 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-20110123445-A1 TREATMENT MONITORING NRAS, KRAS, BRAF MEN1 1030/4885KMT2A 1044/4885EPHX2 2839/4885
US-20120020882-A1 PEPTIDE-BASED COMPOUNDS ITGB3, ITGAV, SELPLG MEN1 769/4885KMT2A 4471/4885EPHX2 4238/4885

“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.