SCHEMBL10046331

SCHEMBL10046331

CCOCCOCCNC(=O)COCC(=O)NCCOCCOCCOCCNC(=O)COCC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
EPHX2 P34913 2/20 0.38
TSHR P16473 3/20 0.38
RECQL P46063 1/20 0.38
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 1/20 0.36
FAAH O00519 1/20 0.36
GLP1R P43220 5/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL10046330 1.00 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AEPHX2TSHR
SCHEMBL10001391 1.00 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AEPHX2TSHR
SCHEMBL13870366 1.00 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AEPHX2TSHR
SCHEMBL21011153 0.97 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AEPHX2TSHR
SCHEMBL13014696 0.97 ALDH1A1 (0.42) ALDH1A1EPHX2TSHRRECQLCASP1
SCHEMBL19069559 0.93 MEN1 (0.40) ALDH1A1MEN1KMT2AEPHX2TSHR
SCHEMBL13014692 0.92 MEN1 (0.41) MEN1KMT2AEPHX2TSHRRECQL
SCHEMBL10001388 0.92 MEN1 (0.41) MEN1KMT2AEPHX2TSHRRECQL
SCHEMBL10046334 0.92 MEN1 (0.41) MEN1KMT2AEPHX2TSHRRECQL
SCHEMBL10046408 0.92 MEN1 (0.41) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8834843-B2 Imaging method GE HEALTHCARE LIMITED (GB) 2014-09-16 US disclosed
US-8834843-B2 Imaging method GE HEALTHCARE LIMITED (GB) 2014-09-16 US disclosed
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-20100316565-A1 NOVEL IMAGING METHOD GE HEALTHCARE LIMITED (GB) 2010-12-16 US disclosed
US-20100316565-A1 NOVEL IMAGING METHOD GE HEALTHCARE LIMITED (GB) 2010-12-16 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-20100316565-A1 NOVEL IMAGING METHOD FABP1, SLC10A1, GLS2 ALDH1A1 457/4885MEN1 1348/4885KMT2A 4141/4885
US-20120020882-A1 PEPTIDE-BASED COMPOUNDS ITGB3, ITGAV, SELPLG ALDH1A1 4659/4885MEN1 769/4885KMT2A 4471/4885

“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.