SCHEMBL7108932

SCHEMBL7108932

COc1cccc(C2=C(C(=O)c3ccc(O)cc3)c3ccc(OC)cc3CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.52
ESR2 Q92731 2/20 0.52
CYP26A1 O43174 2/20 0.46
MIF P14174 2/20 0.46
CYP24A1 Q07973 1/20 0.43
MAPT P10636 3/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
MAPK1 P28482 1/20 0.41
STS P08842 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
KDM4E B2RXH2 3/20 0.40
GLA P06280 2/20 0.40
MEN1 O00255 1/20 0.39
ALPL P05186 1/20 0.39
CLK1 P49759 1/20 0.39

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
SCHEMBL7111266 0.94 ESR1 (0.47) ESR1ESR2MAPTRAB9ANPC1
SCHEMBL3861662 0.92 ESR1 (0.60) ESR1ESR2CYP26A1MIFCYP24A1
SCHEMBL6135986 0.90 ESR1 (0.58) ESR1ESR2CYP26A1MIFCYP24A1
SCHEMBL7107472 0.87 ESR1 (0.52) ESR1ESR2CYP26A1MIFCYP24A1
SCHEMBL7106199 0.86 ESR1 (0.44) ESR1ESR2MAPTRAB9ANPC1
SCHEMBL3976908 0.86 ESR1 (0.55) ESR1ESR2MIFMAPTRAB9A
SCHEMBL7107480 0.86 ESR1 (0.46) ESR1ESR2MAPTRAB9ANPC1
SCHEMBL7106880 0.86 ESR1 (0.51) ESR1ESR2MAPTRAB9ANPC1
SCHEMBL7110416 0.85 ESR1 (0.51) ESR1ESR2MAPTRAB9ANPC1
SCHEMBL3862097 0.85 ESR1 (0.52) ESR1ESR2MAPTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6599920-B2 Antiestrogenic compound having fewer or no estrogen agonist properties on reproductive tissues ELI LILLY AND COMPANY 2003-07-29 US disclosed
US-20030100754-A1 NAPHTHALENE COMPOUNDS, INTERMEDIATES, FORMULATIONS, AND METHODS ELI LILLY AND COMPANY 2003-05-29 US disclosed
EP-0826670-B1 Naphthalene compounds, intermediates, formulations, and methods LILLY CO ELI (US) 2002-05-08 EP disclosed
EP-0826680-B1 Dihydronaphthalene and naphthalene compounds, intermediates, formulations, and methods of preparation thereof. LILLY CO ELI (US) 2001-10-24 EP disclosed
US-6020513-A BONE DISORDERS ELI LILLY AND COMPANY (US) 2000-02-01 US disclosed
US-5958916-A FOR INHIBITING BONE LOSS OR BONE RESORPTION ELI LILLY AND COMPANY (US) 1999-09-28 US disclosed
EP-0826670-A1 Naphthalene compounds, intermediates, formulations, and methods ELI LILLY AND COMPANY (US) 1998-03-04 EP 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 2130/4885CYP26A1 208/4885

“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.