SCHEMBL5238730

SCHEMBL5238730

CCCCOc1c(C(=O)O)n(CC(C)(C)C)c(=O)c2ccc(Br)cc12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
MAPK8 P45983 12/20 0.39
ATM Q13315 1/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
MAPT P10636 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 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
SCHEMBL5236060 0.89 SMN1; SMN2 (0.43) LMNAMAPK8ATMKDM4EALDH1A1
SCHEMBL6109513 0.88 RORA (0.40) MAPK8KDM4EALDH1A1GAAHPGD
SCHEMBL5232796 0.87 PTGDR2 (0.39) MAPK8KDM4EALDH1A1GAAHPGD
SCHEMBL5234027 0.87 PGR (0.43) MAPK8KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5232721 0.86 DPP4 (0.46) LMNAMAPK8ATMTHRATHRB
SCHEMBL5231036 0.85 L3MBTL1 (0.43) LMNAKDM4EALDH1A1GAAMAPT
SCHEMBL5238408 0.85 RORA (0.45) PPARGPPARA
SCHEMBL5238550 0.84 LMNA (0.40) LMNAMAPK8ATMTHRATHRB
SCHEMBL5233440 0.84 L3MBTL1 (0.39) LMNAALDH1A1GAAMAPT
SCHEMBL5233258 0.84 MEN1 (0.38) MAPK8KDM4EALDH1A1GAAHPGD

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 LMNA 1764/4885MAPK8 2612/4885ATM 4774/4885

“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.