SCHEMBL5233258

SCHEMBL5233258

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RORA P35398 2/20 0.37
RORC P51449 2/20 0.37
RORB Q92753 2/20 0.37
PGR P06401 1/20 0.37
TP53 P04637 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPK8 P45983 1/20 0.36
PTGER4 P35408 1/20 0.36
PLA2G2A P14555 1/20 0.35
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PLK1 P53350 3/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL6109513 0.96 RORA (0.40) MEN1KMT2ARORARORCRORB
SCHEMBL5233933 0.89 ALDH1A1 (0.40) MEN1KMT2ARORARORCRORB
SCHEMBL5237316 0.88 PTGER4 (0.37) PGRTP53ALDH1A1PTGER4PLA2G2A
SCHEMBL5231036 0.86 L3MBTL1 (0.43) RORARORCRORBPGRALDH1A1
SCHEMBL5231698 0.86 RORA (0.43) RORARORCRORBPGR
SCHEMBL5231548 0.85 ALDH1A1 (0.40) MEN1KMT2ARORARORCRORB
SCHEMBL5233440 0.85 L3MBTL1 (0.39) ALDH1A1PLA2G2AGAAL3MBTL1
SCHEMBL5233243 0.84 PLA2G2A (0.38) MEN1KMT2AALDH1A1PLA2G2AGAA
SCHEMBL5238730 0.84 LMNA (0.41) ALDH1A1MAPK8GAAKDM4EHPGD
SCHEMBL5232796 0.84 PTGDR2 (0.39) RORARORCRORBPGRTP53

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 MEN1 1445/4885KMT2A 452/4885RORA 2682/4885

“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.