SCHEMBL4924892

SCHEMBL4924892

COc1ccc2c(C(O)c3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(F)cc3OCc3ccccc3)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.46
ESR1 P03372 10/20 0.46
ESR2 Q92731 10/20 0.46
HTT P42858 1/20 0.43
MET P08581 1/20 0.42
KCNH2 Q12809 2/20 0.42
MCHR1 Q99705 2/20 0.42
PTPN1 P18031 1/20 0.41

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
SCHEMBL5423301 0.93 LTA4H (0.48) LTA4HESR1ESR2HTTMET
SCHEMBL5429078 0.88 LTA4H (0.50) LTA4HESR1ESR2HTTKCNH2
SCHEMBL5431659 0.88 LTA4H (0.51) LTA4HESR1ESR2HTTKCNH2
SCHEMBL4930951 0.84 ESR1 (0.50) LTA4HESR1ESR2HTTMET
SCHEMBL5706374 0.84 SSTR2 (0.35) LTA4H
SCHEMBL5420872 0.82 LTA4H (0.51) LTA4HESR1ESR2KCNH2
SCHEMBL5426000 0.80 LTA4H (0.47) LTA4HESR1ESR2
SCHEMBL7110161 0.80 ESR1 (0.53) LTA4HESR1ESR2
SCHEMBL5826619 0.80 LTA4H (0.49) LTA4HESR1ESR2
SCHEMBL1359731 0.79 ESR1 (0.60) ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221163-A1 Selective Estrogen Receptor Modulators ELI LILLY AND COMPANY 2008-09-11 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-20080221163-A1 Selective Estrogen Receptor Modulators GPER1, ESR2, ESR1 LTA4H 1500/4885ESR1 3/4885ESR2 2/4885

“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.