SCHEMBL5233243

SCHEMBL5233243

CCCCOc1c(C(=O)O)n(CC(C)(C)C)c(=O)c2cc(Cl)c(Cl)cc12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 5/20 0.38
THRA P10827 3/20 0.36
THRB P10828 3/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 2/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CCR2 P41597 1/20 0.34
ABCB11 O95342 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
ESR1 P03372 1/20 0.32
KRAS P01116 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL5239284 0.88 ESR1 (0.38) PLA2G2AALDH1A1GAAPOLBNPSR1
SCHEMBL5237418 0.88 CNR2 (0.40) PLA2G2AALDH1A1MEN1KMT2A
SCHEMBL5233440 0.87 L3MBTL1 (0.39) PLA2G2AALDH1A1GAA
SCHEMBL5238955 0.85 PLA2G2A (0.38) PLA2G2ATHRATHRBALDH1A1GAA
Oxalic Acid SCHEMBL5576785 0.85 KDM4E (0.46) ALDH1A1GAAPOLBSMN1; SMN2MEN1
SCHEMBL5576340 0.84 CCR2 (0.46) ALDH1A1GAAPOLBNPSR1CCR2
SCHEMBL5233258 0.84 MEN1 (0.38) PLA2G2AALDH1A1GAAMEN1KMT2A
SCHEMBL6109513 0.84 RORA (0.40) PLA2G2AALDH1A1GAAMEN1KMT2A
SCHEMBL5233361 0.84 ALDH1A1 (0.46) PLA2G2ATHRATHRBALDH1A1GAA
SCHEMBL5235402 0.84 PTGS1 (0.36) GAAPOLBNPSR1CCR2ABCB11

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 5 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-20070117840-A1 Receptor antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US disclosed
US-7034039-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-25 US disclosed
EP-1604983-A1 RECEPTOR ANTAGONIST Takeda Pharmaceutical Company Limited (JP) 2005-12-14 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 (2 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 PLA2G2A 3137/4885THRA 1886/4885THRB 1540/4885
US-20070117840-A1 Receptor antagonist FSHR, NR4A1, GHRHR PLA2G2A 4690/4885THRA 412/4885THRB 324/4885

“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.