SCHEMBL5238698

SCHEMBL5238698

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORA P35398 3/20 0.41
RORC P51449 3/20 0.41
RORB Q92753 3/20 0.41
PGR P06401 2/20 0.38
ADORA3 P0DMS8 1/20 0.37
MAOB P27338 1/20 0.37
THRB P10828 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
AKR1B1 P15121 1/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
LIPC P11150 1/20 0.35
LIPG Q9Y5X9 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
SCHEMBL5237210 0.96 RORA (0.43) RORARORCRORBPGRADORA3
SCHEMBL5231698 0.89 RORA (0.43) RORARORCRORBPGRPTGDR2
SCHEMBL5236202 0.88 KDM4E (0.36) ADORA3PTGDR2KDM4ELMNA
SCHEMBL5233933 0.88 ALDH1A1 (0.40) RORARORCRORBPGRMAPT
SCHEMBL5238408 0.85 RORA (0.45) RORARORCRORBPGRPTGDR2
SCHEMBL5232986 0.85 KDM4E (0.46) MAPTKDM4ELMNA
SCHEMBL5238841 0.84 PTGDR2 (0.37) ADORA3PTGDR2MAPTKDM4ELMNA
SCHEMBL5231548 0.84 ALDH1A1 (0.40) RORARORCRORBPGRMAPT
SCHEMBL5235750 0.84 ADORA3 (0.40) RORARORCRORBADORA3MAOB
SCHEMBL5238926 0.83 KDM4E (0.41) MAPTKDM4ELMNA

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.