SCHEMBL439265

SCHEMBL439265

CC(C)(COCCC(=O)O)COCCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
LMNA P02545 4/20 0.36
EGLN1 Q9GZT9 2/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
SUCNR1 Q9BXA5 1/20 0.36
FFAR3 O14843 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
SLC15A2 Q16348 1/20 0.35
TSHR P16473 3/20 0.33
KDM4E B2RXH2 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
NAALAD2 Q9Y3Q0 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
SCHEMBL23935415 0.89 ALDH1A1 (0.33) ALDH1A1LMNAEGLN1ALKBH5SUCNR1
SCHEMBL20057231 0.88 KDM4E (0.44) ALDH1A1LMNAHDAC3HDAC1HDAC2
SCHEMBL8932043 0.86 ALDH1A1 (0.37) ALDH1A1LMNAEGLN1ALKBH5SUCNR1
SCHEMBL9883735 0.86 ALDH1A1 (0.37) ALDH1A1LMNAEGLN1ALKBH5SUCNR1
SCHEMBL21896383 0.84 HMGCR (0.37) ALDH1A1LMNAEGLN1ALKBH5SUCNR1
SCHEMBL12227935 0.82 ALDH1A1 (0.36) ALDH1A1LMNAEGLN1ALKBH5SUCNR1
SCHEMBL1781906 0.82 BLM (0.34) ALDH1A1LMNAEGLN1ALKBH5SUCNR1
SCHEMBL19646453 0.81 MEN1 (0.38) TSHR
SCHEMBL5712795 0.80 L3MBTL1 (0.36) ALDH1A1LMNAEGLN1ALKBH5SUCNR1
SCHEMBL10911455 0.80 NAALAD2 (0.34) ALDH1A1LMNAEGLN1ALKBH5SUCNR1

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-9139456-B2 Chelating compounds and immobilized tethered chelators THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2015-09-22 US disclosed
EP-2540321-A1 Bis Tridentate W3O2 Clusters for X-Ray imaging Bayer Intellectual Property GmbH (DE) 2013-01-02 EP disclosed
US-20120061325-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2012-03-15 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-20120061325-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS BTD, TTPA, SLC39A7 ALDH1A1 3904/4885LMNA 3554/4885EGLN1 1630/4885

“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.