SCHEMBL4931321

SCHEMBL4931321

COc1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(-c3c(OC)ccc(S(N)(=O)=O)c3C)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 15/20 0.50
ESR2 Q92731 13/20 0.50
ENPP1 P22413 2/20 0.46
ENPP3 O14638 1/20 0.46
STS P08842 3/20 0.45
PSMB1 P20618 1/20 0.45
PSMB5 P28074 1/20 0.45
PSMB2 P49721 1/20 0.45
FLT3 P36888 1/20 0.43

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
SCHEMBL1358515 0.83 ESR1 (0.63) ESR1ESR2ENPP1ENPP3PSMB1
SCHEMBL8473855 0.82 ESR1 (0.55) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL8473947 0.81 ESR1 (0.58) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL13945577 0.81 ESR1 (0.55) ESR1ESR2ENPP1ENPP3PSMB1
SCHEMBL5430797 0.80 ESR1 (0.58) ESR1ESR2ENPP1ENPP3PSMB1
SCHEMBL1360002 0.80 ESR1 (0.56) ESR1ESR2ENPP1ENPP3PSMB1
SCHEMBL1359174 0.80 ESR1 (0.56) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL1358405 0.80 ESR1 (0.56) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL1358022 0.80 ESR1 (0.56) ESR1ESR2ENPP1ENPP3PSMB1
SCHEMBL8472729 0.80 ESR1 (0.58) ESR1ESR2ENPP1ENPP3PSMB1

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 ESR1 3/4885ESR2 2/4885ENPP1 872/4885

“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.