SCHEMBL13601909

SCHEMBL13601909

COCCC(C)(C)OCCC(C)(C)OCCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.33
NAALAD2 Q9Y3Q0 1/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
ESR1 P03372 1/20 0.30
CYP3A4 P08684 1/20 0.30
ESR2 Q92731 1/20 0.30
FFAR3 O14843 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL18906646 0.85 ALDH1A1 (0.35) ALDH1A1
SCHEMBL20614594 0.85 NAALAD2 (0.32) ALDH1A1NAALAD2TSHRL3MBTL1ESR1
SCHEMBL13601908 0.83 THRB (0.35) ALDH1A1LMNANAALAD2TSHRL3MBTL1
SCHEMBL13246588 0.81 NAALAD2 (0.36) ALDH1A1NAALAD2TSHRESR1CYP3A4
SCHEMBL23543402 0.80 ALDH1A1 (0.32) ALDH1A1LMNANAALAD2
SCHEMBL24813555 0.80 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL22780936 0.79 MAPK1 (0.31)
SCHEMBL21933577 0.78 ALDH1A1 (0.41) ALDH1A1LMNATSHRESR1
SCHEMBL25148545 0.77 ALDH1A1 (0.37) ALDH1A1NAALAD2TSHRESR1CYP3A4
SCHEMBL16329584 0.77 GAA (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8337823-B2 Modified macromolecule STARPHARMA PTY LIMITED (AU) 2012-12-25 US disclosed
US-20090324535-A1 MODIFIED MACROMOLECULE STARPHARMA PTY LTD (AU) 2009-12-31 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-20090324535-A1 MODIFIED MACROMOLECULE MRPL11, MAX, MRPL38 ALDH1A1 899/4885LMNA 1304/4885NAALAD2 2634/4885

“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.