SCHEMBL4930951

SCHEMBL4930951

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

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 16/20 0.50
ESR2 Q92731 16/20 0.50
HTT P42858 1/20 0.48
LTA4H P09960 1/20 0.47
MET P08581 1/20 0.46

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
SCHEMBL5421491 0.93 HTT (0.52) ESR1ESR2HTTLTA4HMET
SCHEMBL8473947 0.88 ESR1 (0.58) ESR1ESR2LTA4H
SCHEMBL1360621 0.88 HTT (0.53) ESR1ESR2HTTLTA4H
SCHEMBL1359127 0.86 ESR1 (0.56) ESR1ESR2
SCHEMBL1359724 0.86 ESR1 (0.56) ESR1ESR2
SCHEMBL1359175 0.86 ESR1 (0.55) ESR1ESR2
SCHEMBL1360104 0.86 ESR1 (0.55) ESR1ESR2
SCHEMBL1359828 0.85 ESR1 (0.56) ESR1ESR2LTA4H
SCHEMBL1357972 0.85 HTT (0.56) ESR1ESR2HTTLTA4H
SCHEMBL4924892 0.84 LTA4H (0.46) ESR1ESR2HTTLTA4HMET

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
US-20080221163-A1 Selective Estrogen Receptor Modulators ELI LILLY AND COMPANY 2008-09-11 US disclosed
EP-1713820-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-10-25 EP disclosed
WO-2005073244-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-08-11 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-20080221163-A1 Selective Estrogen Receptor Modulators GPER1, ESR2, ESR1 ESR1 3/4885ESR2 2/4885HTT 4746/4885

“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.