SCHEMBL4973294

SCHEMBL4973294

CCCc1c(-c2cc(F)ccc2OC)ccc(C(=O)CC(C(N)=O)c2ccc(-c3cc(F)ccc3OC)c(CCC)c2OC)c1O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.35
F7 P08709 1/20 0.34
SLC9A1 P19634 2/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
CTSA P10619 2/20 0.32
LRRK2 Q5S007 1/20 0.32
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GRM2 Q14416 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MMEL1 Q495T6 1/20 0.31
CFD P00746 1/20 0.31

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
SCHEMBL4973300 0.82 CYSLTR2 (0.38) ERN1CYP3A4LMNAGRM2
SCHEMBL2008217 0.78 PPARG (0.45) ERN1CYP3A4LMNAGRM2
SCHEMBL2007148 0.77 LTB4R (0.41) ERN1SLC9A1
SCHEMBL2006644 0.76 KDM4E (0.34) ERN1SLC9A1LRRK2KDM4E
SCHEMBL2007273 0.70 SLC9A1 (0.33) ERN1SLC9A1PTGDR2KDM4E
SCHEMBL4971189 0.65 F7 (0.36) F7CTSALMNAPTGDR2KDM4E
SCHEMBL9728623 0.59 MAPT (0.58) LMNAGRM2
SCHEMBL10378288 0.59 PPARG (0.58) CYP3A4LMNAGRM2
SCHEMBL8940603 0.59 ERN1 (0.51) ERN1SLC9A1CYP3A4CYP2C19LRRK2
SCHEMBL29706670 0.59 LMNA (0.52) SLC9A1LMNASMN1; SMN2

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-1965785-A1 COMPOUNDS WITH MEDICINAL EFFECTS DUE TO INTERACTION WITH THE GLUCOCORTICOID RECEPTOR N.V. Organon (NL) 2008-09-10 EP disclosed
WO-2007071638-A1 COMPOUNDS WITH MEDICINAL EFFECTS DUE TO INTERACTION WITH THE GLUCOCORTICOID RECEPTOR N.V. ORGANON (NL) 2007-06-28 WO disclosed
US-20070149577-A1 Compounds with medicinal effects due to interaction with the glucocorticoid receptor N.V. ORGANON (NL) 2007-06-28 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-20070149577-A1 Compounds with medicinal effects due to interaction with the glucocorticoid receptor NR3C1, NR3C2, MC2R ERN1 1147/4885F7 1664/4885SLC9A1 563/4885

“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.