SCHEMBL4931312

SCHEMBL4931312

COc1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(Cc3cc(S(N)(=O)=O)ccc3OC)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.50
ESR2 Q92731 9/20 0.50
ENPP3 O14638 3/20 0.50
ENPP1 P22413 3/20 0.50
HRH3 Q9Y5N1 2/20 0.48
KCNH2 Q12809 1/20 0.48
STS P08842 3/20 0.46
PSMB1 P20618 1/20 0.46
PSMB5 P28074 1/20 0.46
PSMB2 P49721 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
SCHEMBL4826412 0.86 ESR1 (0.55) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL1358515 0.83 ESR1 (0.63) ESR1ESR2ENPP3ENPP1PSMB1
SCHEMBL5706416 0.80 ENPP3 (0.52) ESR1ESR2ENPP3ENPP1PSMB1
SCHEMBL5826407 0.80 ESR1 (0.55) ESR1ESR2ENPP3ENPP1PSMB1
SCHEMBL1360090 0.80 ESR1 (0.63) ESR1ESR2KCNH2PSMB1PSMB5
SCHEMBL1359326 0.80 ESR1 (0.63) ESR1ESR2KCNH2PSMB1PSMB5
SCHEMBL4931321 0.79 ESR1 (0.50) ESR1ESR2ENPP3ENPP1STS
SCHEMBL4924889 0.79 ESR1 (0.54) ESR1ESR2ENPP3ENPP1PSMB1
SCHEMBL1358420 0.78 ESR1 (0.54) ESR1ESR2ENPP3ENPP1STS
SCHEMBL3122366 0.78 ESR1 (0.63) ESR1ESR2ENPP3ENPP1

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 2/4885ENPP3 1285/4885

“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.