SCHEMBL5236402

SCHEMBL5236402

CCCCOc1c(CNC(=O)O)n(CC(C)(C)C)c(=O)c2ccc(OC)cc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.40
RORA P35398 1/20 0.40
RORC P51449 1/20 0.40
RORB Q92753 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK8 P45983 1/20 0.38
MAPT P10636 1/20 0.38
PLA2G2A P14555 2/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
DPP4 P27487 1/20 0.37
GRM2 Q14416 1/20 0.36
AVPR1B P47901 1/20 0.36
TP53 P04637 1/20 0.36
SLC2A1 P11166 1/20 0.36

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
SCHEMBL6698507 0.96 PGR (0.40) PGRRORARORCRORBKDM4E
SCHEMBL5231048 0.94 TSHR (0.36) KDM4EHSD17B10PLA2G2AMTNR1ADPP4
SCHEMBL5231638 0.92 TSHR (0.37) KDM4EHSD17B10PLA2G2AMTNR1ADPP4
SCHEMBL5231951 0.92 POLB (0.34) KDM4EHSD17B10MAPTDPP4TP53
SCHEMBL5232653 0.92 MAPT (0.36) KDM4EHSD17B10MAPTPLA2G2AAVPR1B
SCHEMBL5235811 0.91 TP53 (0.35) RORCKDM4EHSD17B10MAPTDPP4
SCHEMBL5275959 0.90 RORA (0.37) PGRRORARORCRORBKDM4E
SCHEMBL5233701 0.90 TSHR (0.36) KDM4EHSD17B10PLA2G2AMTNR1ADPP4
SCHEMBL5230679 0.89 DPP4 (0.36) KDM4EHSD17B10MAPK8MAPTDPP4
SCHEMBL5237350 0.89 RORA (0.37) RORARORCRORBKDM4EHSD17B10

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
EP-1355886-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2007-07-11 EP 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 PGR 4067/4885RORA 2682/4885RORC 2671/4885

“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.