SCHEMBL5167562

SCHEMBL5167562

CCCC(OCC)C([O])=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.37
AKR1A1 P14550 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP3A4 P08684 2/20 0.36
TSHR P16473 2/20 0.36
NFKB1 P19838 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PPARA Q07869 8/20 0.33
PPARG P37231 5/20 0.33
THRB P10828 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33

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
SCHEMBL5163491 0.86 CA2 (0.39) TDP1CYP3A4TSHRFDPS
SCHEMBL11531630 0.83 GPR84 (0.44) FDPS
SCHEMBL14123404 0.81 CHRM1 (0.37) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL25824 0.81 CHRM1 (0.48) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL26940428 0.81 CHRM1 (0.48) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5165606 0.80
SCHEMBL17227619 0.79 CHRM1 (0.36) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL4692524 0.79 CA1 (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28091198 0.79 ALDH1A1 (0.40) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL17227618 0.79 CHRM1 (0.36) CHRM1AKR1A1CHRM3HTR2AHTR2C

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 34 patents — showing the first 20. 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-1238667-A2 Use of benzothiophenes for treatment of hypercholesterolaemia ELI LILLY AND COMPANY (US) 2002-09-11 EP disclosed
EP-0693285-B1 Pharmaceutical compositions containing a bisphosphonate and an anti-resorptive agent for inhibiting bone loss LILLY CO ELI (US) 2002-02-06 EP disclosed
US-20010051636-A1 Combination treatment for inhibiting bone loss BLACK LARRY J (US) 2001-12-13 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-5441964-A Especially post-memopausal women ELI LILLY AND COMPANY (US) 1995-08-15 US disclosed
EP-0665015-A2 Combination treatment for osteoporosis ELI LILLY AND COMPANY (US) 1995-08-02 EP disclosed
EP-0657162-A1 Methods for lowering serum cholesterol ELI LILLY AND COMPANY (US) 1995-06-14 EP disclosed
EP-0651998-A1 Methods for inhibiting bone loss ELI LILLY AND COMPANY (US) 1995-05-10 EP disclosed
EP-0650724-A1 Methods for inhibiting uterine fibrosis ELI LILLY AND COMPANY (US) 1995-05-03 EP disclosed
US-5393763-A Administering benzothiophenes such as raloxifene hydrochloride ELI LILLY AND COMPANY (US) 1995-02-28 US disclosed
EP-0635264-A2 Antiestrogens as hypoglycemic agents ELI LILLY AND COMPANY (US) 1995-01-25 EP disclosed
EP-0605193-A1 Use of benzothiophenes for treatment of hypercholesterolaemia ELI LILLY AND COMPANY (US) 1994-07-06 EP 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 (3 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 CHRM1 3543/4885AKR1A1 1113/4885CHRM3 1633/4885
US-20030212058-A1 Methods for inhibiting bone loss SHBG, SOST, ESRRB CHRM1 3543/4885AKR1A1 1113/4885CHRM3 1633/4885
US-20010051636-A1 Combination treatment for inhibiting bone loss SOST, BMP2, PTH1R CHRM1 4573/4885AKR1A1 982/4885CHRM3 3872/4885

“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.