SCHEMBL4641291

SCHEMBL4641291

COc1cc(-c2cc3c(c(C(=O)O)c2)OC(C)(C)C=C3)cc(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
COXFA4 O00483 1/20 0.44
HSP90AA1 P07900 4/20 0.44
ODC1 P11926 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HIF1A Q16665 6/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL14098901 0.90 COXFA4 (0.44) COXFA4HSP90AA1ODC1KDM4ECASP1
SCHEMBL4640370 0.77 KDM4E (0.42) KDM4EALDH1A1PKM
SCHEMBL4641420 0.76 PKM (0.39) KDM4EALDH1A1PKM
SCHEMBL11014320 0.72 ODC1 (0.48) COXFA4HSP90AA1ODC1KDM4ECASP1
SCHEMBL5470717 0.71 ALDH1A1 (0.52) COXFA4HSP90AA1ODC1KDM4ECASP1
SCHEMBL4640431 0.69 KDM4E (0.56) KDM4EALDH1A1PKM
SCHEMBL14363860 0.69 ALDH1A1 (0.53) COXFA4HSP90AA1KDM4ECASP1CASP7
SCHEMBL31239009 0.69 LMNA (0.46) COXFA4HSP90AA1ODC1KDM4ECASP1
SCHEMBL5476809 0.69 LMNA (0.46) COXFA4HSP90AA1ODC1KDM4ECASP1
SCHEMBL5723520 0.69 KDM4E (0.63) HSP90AA1KDM4ECASP1CASP7ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US claimed
EP-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 EP claimed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO claimed
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US disclosed
EP-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 EP disclosed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO 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-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 COXFA4 1025/4885HSP90AA1 4858/4885ODC1 2381/4885

“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.