SCHEMBL7108582

SCHEMBL7108582

O=C(C1=C(c2cccc(O)c2)CCc2cc(O)ccc21)c1ccc(OCCN2CCCCC2)cc1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 15/20 0.88
ESR2 Q92731 14/20 0.88
KDR P35968 2/20 0.54
PSMB1 P20618 1/20 0.53
PSMB5 P28074 1/20 0.53
PSMB2 P49721 1/20 0.53
MEN1 O00255 1/20 0.51
PLD2 O14939 1/20 0.51
KDM1A O60341 1/20 0.51
NR1I2 O75469 1/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51
C5 P01031 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
FYN P06241 1/20 0.51
PGR P06401 1/20 0.51
CYP3A4 P08684 1/20 0.51
ADRA2A P08913 1/20 0.51
ADORA3 P0DMS8 1/20 0.51

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
SCHEMBL7111413 0.99 ESR1 (0.86) ESR1ESR2KDRPSMB1PSMB5
SCHEMBL7107491 0.96 ESR1 (0.81) ESR1ESR2KDRALDH1A1ACHE
SCHEMBL7111259 0.93 ESR1 (0.77) ESR1ESR2KDRPSMB1PSMB5
SCHEMBL7107851 0.93 ESR1 (0.79) ESR1ESR2KDRPSMB1PSMB5
SCHEMBL11181985 0.93 ESR1 (0.98) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL7110616 0.92 ESR1 (0.81) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL11188187 0.91 ESR1 (0.98) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL7111414 0.90 ESR1 (0.86) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL7112974 0.89 ESR1 (0.84) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL14078413 0.89 ESR1 (0.90) ESR1ESR2PSMB1PSMB5PSMB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030100754-A1 NAPHTHALENE COMPOUNDS, INTERMEDIATES, FORMULATIONS, AND METHODS ELI LILLY AND COMPANY 2003-05-29 US disclosed
US-5958916-A FOR INHIBITING BONE LOSS OR BONE RESORPTION ELI LILLY AND COMPANY (US) 1999-09-28 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-20030100754-A1 NAPHTHALENE COMPOUNDS, INTERMEDIATES, FORMULATIONS, AND METHODS NDC1, SQLE, NQO1 ESR1 1044/4885ESR2 2130/4885KDR 4479/4885

“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.