SCHEMBL5237705

SCHEMBL5237705

CCCCOc1c(C(=O)OCC)n(CCC(C)C)c(=O)c2cc(Cl)c(Cl)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
ESR1 P03372 1/20 0.36
BAZ2B Q9UIF8 1/20 0.35
BAZ2A Q9UIF9 1/20 0.35
ALDH1A1 P00352 6/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 2/20 0.34
TNF P01375 1/20 0.34
HTT P42858 2/20 0.33
PLA2G2A P14555 1/20 0.33
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TP53 P04637 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33

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
SCHEMBL5234123 0.91 ESR1 (0.38) L3MBTL1ESR1BAZ2BBAZ2AALDH1A1
SCHEMBL5232009 0.89 PLA2G2A (0.38) ALDH1A1GAALMNAHTTPLA2G2A
SCHEMBL5232581 0.88 ALDH1A1 (0.43) L3MBTL1ESR1BAZ2BBAZ2AALDH1A1
SCHEMBL5235591 0.88 L3MBTL1 (0.39) L3MBTL1ESR1BAZ2BBAZ2AALDH1A1
SCHEMBL5239284 0.83 ESR1 (0.38) L3MBTL1ESR1BAZ2BBAZ2AALDH1A1
SCHEMBL5233465 0.83 ATM (0.39) L3MBTL1ESR1BAZ2BBAZ2AALDH1A1
SCHEMBL5236340 0.83 ALDH1A1 (0.40) BAZ2BBAZ2AALDH1A1GAALMNA
SCHEMBL5233806 0.82 MAPK8 (0.46) GAALMNAKDM4EMAPT
SCHEMBL5233592 0.82 TP53 (0.37) L3MBTL1ESR1ALDH1A1LMNAKDM4E
SCHEMBL5238974 0.81 ALDH1A1 (0.36) ALDH1A1GAALMNAHTTMAPT

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 L3MBTL1 1135/4885ESR1 2222/4885BAZ2B 382/4885

“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.