SCHEMBL5239031

SCHEMBL5239031

CCCCOc1c(CO)n(CC(C)(C)C)c(=O)c2cc(C(F)(F)F)ccc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORA P35398 9/20 0.44
RORC P51449 9/20 0.44
RORB Q92753 9/20 0.44
PGR P06401 8/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.36
NR1H2 P55055 1/20 0.36
LIPC P11150 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
AKR1B1 P15121 1/20 0.34
DDR1 Q08345 1/20 0.33
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FAAH O00519 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
SCHEMBL5233756 0.96 RORA (0.46) RORARORCRORBPGRPTGDR2
SCHEMBL7009084 0.90 RORA (0.41) RORARORCRORBPGRPTGDR2
SCHEMBL5236096 0.90 RORA (0.41) RORARORCRORBPGRPTGDR2
Hydrochloric Acid SCHEMBL5231967 0.89 RORA (0.41) RORARORCRORBPGRPTGDR2
SCHEMBL5238716 0.87 PPM1A (0.36) RORARORCRORBPGRPTGDR2
SCHEMBL5235827 0.86 RORA (0.40) RORARORCRORBPGRPTGDR2
SCHEMBL5235895 0.85 RORA (0.44) RORARORCRORBPGRPTGDR2
SCHEMBL6107742 0.85 RORA (0.39) RORARORCRORBPGRPTGDR2
Hydrochloric Acid SCHEMBL5237070 0.84 RORA (0.43) RORARORCRORBPGRPTGDR2
SCHEMBL5231698 0.84 RORA (0.43) RORARORCRORBPGRPTGDR2

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
EP-1355886-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2007-07-11 EP disclosed
US-7034039-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-25 US disclosed
US-20040082607-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-29 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-20040082607-A1 Fused heterocyclic compounds DPP7, DPP4, METAP1 RORA 2682/4885RORC 2671/4885RORB 2617/4885

“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.