SCHEMBL5166449

SCHEMBL5166449

CCCC(=O)Oc1ccc(-c2sc3cc(OC(=O)CCC)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 18/20 0.76
ESR2 Q92731 17/20 0.76
ENPP3 O14638 2/20 0.73
MEN1 O00255 2/20 0.71
ALDH1A1 P00352 2/20 0.71
LMNA P02545 2/20 0.71
TP53 P04637 2/20 0.71
CYP3A4 P08684 2/20 0.71
MAPT P10636 2/20 0.71
ALOX15 P16050 2/20 0.71
KMT2A Q03164 2/20 0.71
HSD17B10 Q99714 2/20 0.71
TDP1 Q9NUW8 2/20 0.71
PLD2 O14939 1/20 0.71
KDM1A O60341 1/20 0.71
NR1I2 O75469 1/20 0.71
USP2 O75604 1/20 0.71
C5 P01031 1/20 0.71
FYN P06241 1/20 0.71
PGR P06401 1/20 0.71

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
Hydrochloric Acid SCHEMBL5166121 0.99 ESR1 (0.76) ESR1ESR2ENPP3MEN1ALDH1A1
SCHEMBL24173269 0.96 ESR1 (0.80) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL11183158 0.94 ESR1 (0.70) ESR1ESR2ENPP3MEN1ALDH1A1
SCHEMBL11192404 0.94 ESR1 (0.70) ESR1ESR2ENPP3MEN1ALDH1A1
SCHEMBL8211353 0.94 ESR1 (0.70) ESR1ESR2ENPP3MEN1ALDH1A1
SCHEMBL11192438 0.94 ESR1 (0.67) ESR1ESR2ENPP3MEN1ALDH1A1
SCHEMBL9202207 0.93 ESR1 (0.76) ESR1ESR2ENPP3MEN1ALDH1A1
Hydrochloric Acid SCHEMBL9204830 0.92 ESR1 (0.77) ESR1ESR2ENPP3MEN1ALDH1A1
SCHEMBL11193395 0.92 ESR1 (0.72) ESR1ESR2ENPP3MEN1ALDH1A1
SCHEMBL11196715 0.92 ESR1 (0.67) ESR1ESR2ENPP3MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1772150-A1 Benzothiophene formulations of a specific dosage Eli Lilly & Company (US) 2007-04-11 EP disclosed
US-20060106010-A1 Methods for inhibiting bone loss ELI LILLY AND COMPANY 2006-05-18 US disclosed
US-RE39049-E1 Methods for inhibiting bone loss ELI LILLY AND COMPANY (US) 2006-03-28 US disclosed
US-RE38968-E1 Methods for inhibiting bone loss using 6-hydroxy-2-(4-hydroxyphenyl)-benzo[b]thien-3-yl-4-[2-(piperidin-1-yl) ethoxyphenylimethanone hydrochloride ELI LILLY AND COMPANY (US) 2006-02-07 US disclosed
US-6906086-B2 Methods for inhibiting bone loss ELI LILLY AND COMPANY (US) 2005-06-14 US disclosed
EP-1438957-A1 Benzothiophene formulations of a specific dosage ELI LILLY AND COMPANY (US) 2004-07-21 EP disclosed
US-20030212058-A1 Methods for inhibiting bone loss ELI LILLY AND COMPANY 2003-11-13 US disclosed
EP-0781555-A1 Benzothiophene formulations of a specific dosage ELI LILLY AND COMPANY (US) 1997-07-02 EP disclosed
EP-0584952-B1 Improvements in or relating to benzothiophenes LILLY CO ELI (US) 1997-05-02 EP disclosed
US-5534527-A TREATMENT OF OSTEOPOROSIS ELI LILLY AND COMPANY (US) 1996-07-09 US disclosed
US-5464845-A Benzo(b)thienyl derivatives ELI LILLY AND COMPANY (US) 1995-11-07 US disclosed
US-5457117-A Method for inhibiting bone loss using 6-hydroxy-2-(4-hydroxyphenyl)-benzo[B][2-(piperidin-1-yl)ethoxyphenylimethanone hydrochloride ELI LILLY AND COMPANY (US) 1995-10-10 US disclosed
US-5393763-A Administering benzothiophenes such as raloxifene hydrochloride ELI LILLY AND COMPANY (US) 1995-02-28 US disclosed
EP-0584952-A1 Improvements in or relating to benzothiophenes ELI LILLY AND COMPANY (US) 1994-03-02 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 (2 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-20060106010-A1 Methods for inhibiting bone loss SHBG, SOST, ESRRB ESR1 15/4885ESR2 5/4885ENPP3 307/4885
US-20030212058-A1 Methods for inhibiting bone loss SHBG, SOST, ESRRB ESR1 15/4885ESR2 5/4885ENPP3 307/4885

“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.