Raloxifene

Raloxifene

SCHEMBL1751808

O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12.O=S(=O)(O)O

nearest known ligand 0.93

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ESR1ESR2

The experimentally established mechanism targets of Raloxifene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 known ✓ P03372 18/20 0.93
ESR2 known ✓ Q92731 16/20 0.93
MEN1 O00255 2/20 0.93
ALDH1A1 P00352 2/20 0.93
LMNA P02545 2/20 0.93
TP53 P04637 2/20 0.93
CYP3A4 P08684 2/20 0.93
MAPT P10636 2/20 0.93
ALOX15 P16050 2/20 0.93
KMT2A Q03164 2/20 0.93
HSD17B10 Q99714 2/20 0.93
TDP1 Q9NUW8 2/20 0.93
PLD2 O14939 1/20 0.93
KDM1A O60341 1/20 0.93
NR1I2 O75469 1/20 0.93
USP2 O75604 1/20 0.93
C5 P01031 1/20 0.93
FYN P06241 1/20 0.93
PGR P06401 1/20 0.93
ADRA2A P08913 1/20 0.93

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
Raloxifene SCHEMBL2234855 0.96 ESR1 (0.90) ESR1ESR2MEN1ALDH1A1LMNA
Raloxifene SCHEMBL2733917 0.96 ESR1 (0.90) ESR1ESR2MEN1ALDH1A1LMNA
Raloxifene SCHEMBL29362592 0.96 ESR1 (1.00) ESR1ESR2MEN1ALDH1A1LMNA
Raloxifene SCHEMBL6144 0.96 ESR1 (1.00) ESR1ESR2MEN1ALDH1A1LMNA
Raloxifene SCHEMBL9145135 0.96 ESR1 (1.00) ESR1ESR2MEN1ALDH1A1LMNA
Raloxifene SCHEMBL3162158 0.96 ESR1 (1.00) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL5821250 0.96 ESR1 (1.00) ESR1ESR2MEN1ALDH1A1LMNA
Raloxifene SCHEMBL976686 0.96 ESR1 (0.85) ESR1ESR2MEN1ALDH1A1LMNA
Raloxifene SCHEMBL2235454 0.96 ESR1 (0.88) ESR1ESR2MEN1ALDH1A1LMNA
Raloxifene SCHEMBL2235455 0.96 ESR1 (0.88) ESR1ESR2MEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1832583-A1 Novel raloxifene sulphuric acid addition salts and/or solvates thereof, and pharmaceutical compositions comprising these A/S GEA Farmaceutisk Fabrik (DK) 2007-09-12 EP claimed
US-7964734-B2 Raloxifene acid addition salts and/or solvates thereof, improved method for purification of said raloxifene acid addition salts and/or solvates thereof and pharmaceutical compositions comprising these A/S GEA FARMACEUTISK FABRIK (DK) 2011-06-21 US disclosed
EP-1832583-A1 Novel raloxifene sulphuric acid addition salts and/or solvates thereof, and pharmaceutical compositions comprising these A/S GEA Farmaceutisk Fabrik (DK) 2007-09-12 EP disclosed
EP-1832582-A1 Novel raloxifene malonic acid addition salts and/or solvates thereof, and pharmaceutical compositions comprising these A/S GEA Farmaceutisk Fabrik (DK) 2007-09-12 EP disclosed
EP-1832583-A1 Novel raloxifene sulphuric acid addition salts and/or solvates thereof, and pharmaceutical compositions comprising these A/S GEA Farmaceutisk Fabrik (DK) 2007-09-12 EP disclosed
EP-1832583-A1 Novel raloxifene sulphuric acid addition salts and/or solvates thereof, and pharmaceutical compositions comprising these A/S GEA Farmaceutisk Fabrik (DK) 2007-09-12 EP disclosed
EP-1826205-A1 Novel raloxifene succinic acid addition salts and/or solvates thereof, and pharmaceutical compositions comprising these A/S GEA Farmaceutisk Fabrik (DK) 2007-08-29 EP disclosed
US-20060154966-A1 Novel raloxifene acid additon salts and/or solvates thereof, improved method for purification of said raloxifene acid addition salts and/or solvates thereof and pharmaceutical compositions comprising these A/S GEA FARMACEUTISK FABRIK (DK) 2006-07-13 US disclosed
EP-1546138-A2 NOVEL RALOXIFENE ACID ADDITION SALTS AND/OR SOLVATES THEREOF, IMPROVED METHOD FOR PURIFICATION OF SAID RALOXIFENE ACID ADDITION SALTS AND/OR SOLVATES THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE A/S GEA Farmaceutisk Fabrik (DK) 2005-06-29 EP disclosed
WO-2004029046-A2 NOVEL RALOXIFENE ACID ADDITION SALTS AND/OR SOLVATES THEREOF, IMPROVED METHOD FOR PURIFICATION OF SAID RALOXIFENE ACID ADDITION SALTS AND/OR SOLVATES THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE A/S GEA FARMACEUTISK FABRIK (DK) 2004-04-08 WO 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-20060154966-A1 Novel raloxifene acid additon salts and/or solvates thereof, improved method for purification of said raloxifene acid addition salts and/or solvates thereof and pharmaceutical compositions comprising these SI, SUCNR1, LDHA ESR1 86/4885ESR2 188/4885MEN1 604/4885

“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.