SCHEMBL5232009

SCHEMBL5232009

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 5/20 0.38
ALDH1A1 P00352 4/20 0.36
PTGER4 P35408 3/20 0.36
PTGER2 P43116 1/20 0.36
THRA P10827 3/20 0.35
THRB P10828 3/20 0.35
MAPT P10636 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
GAA P10253 1/20 0.34
CCR2 P41597 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 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
SCHEMBL5238955 0.90 PLA2G2A (0.38) PLA2G2AALDH1A1PTGER4PTGER2THRA
SCHEMBL6106733 0.89 PLA2G2A (0.37) PLA2G2AALDH1A1PTGER4PTGER2THRA
SCHEMBL5237705 0.89 L3MBTL1 (0.37) PLA2G2AALDH1A1MAPTRXFP1GAA
SCHEMBL5233361 0.87 ALDH1A1 (0.46) PLA2G2AALDH1A1THRATHRBGAA
SCHEMBL5233234 0.87 PLA2G2A (0.39) PLA2G2AALDH1A1PTGER4PTGER2THRA
SCHEMBL5238974 0.83 ALDH1A1 (0.36) ALDH1A1PTGER4PTGER2THRATHRB
SCHEMBL5238218 0.83 ALDH1A1 (0.33) PLA2G2AALDH1A1PTGER4PTGER2THRA
SCHEMBL6106729 0.83 TNF (0.41) PLA2G2AALDH1A1GAA
SCHEMBL5236817 0.83 PLA2G2A (0.40) PLA2G2ATHRATHRB
SCHEMBL5238212 0.83 RXFP1 (0.34) ALDH1A1PTGER4PTGER2THRATHRB

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 PLA2G2A 3137/4885ALDH1A1 387/4885PTGER4 2453/4885

“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.