SCHEMBL2909825

SCHEMBL2909825

Cc1cc(OCCO)c(OCCO)cc1-c1cccc(C=O)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.38
CD274 Q9NZQ7 6/20 0.37
PDCD1 Q15116 5/20 0.37
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
ERN1 O75460 5/20 0.34
TLR2 O60603 1/20 0.34
TLR1 Q15399 1/20 0.34
TLR6 Q9Y2C9 1/20 0.34
KDM4E B2RXH2 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL13140089 0.94 RARB (0.40) ALDH1A1HTTSMN1; SMN2HPGDPTGDR2
SCHEMBL13117586 0.90 FFAR1 (0.38) ALDH1A1HTTSMN1; SMN2HPGDPTGDR2
SCHEMBL13117587 0.86 ALDH1A1 (0.49) ALDH1A1HTTSMN1; SMN2HPGDPTGDR2
SCHEMBL2913113 0.85 TSHR (0.48) ALDH1A1HTTSMN1; SMN2HPGDPTGDR2
SCHEMBL2913115 0.85 ALDH1A1 (0.40) ALDH1A1HTTSMN1; SMN2HPGDPTGDR2
SCHEMBL13139898 0.84 ALDH1A1 (0.42) ALDH1A1HTTSMN1; SMN2HPGDPTGDR2
SCHEMBL13117550 0.80 CD274 (0.51) CD274PDCD1
SCHEMBL2906794 0.78 GAA (0.39) ALDH1A1HTTSMN1; SMN2HPGDCD274
SCHEMBL13117560 0.77 ALDH1A1 (0.36) ALDH1A1HTTSMN1; SMN2HPGDPTGDR2
SCHEMBL13117607 0.77 SMN1; SMN2 (0.37) ALDH1A1HTTSMN1; SMN2HPGDPTGDR2

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-20100267775-A1 OXADIAZOLIDINEDIONE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-10-21 US disclosed
EP-2216330-A1 OXADIAZOLIDINEDIONE COMPOUND Astellas Pharma Inc. (JP) 2010-08-11 EP 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-20100267775-A1 OXADIAZOLIDINEDIONE COMPOUND GPR119, GLP1R, GPR4 ALDH1A1 2370/4885HTT 2299/4885SMN1; SMN2 3468/4885

“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.