SCHEMBL2561003

SCHEMBL2561003

CC(=O)Oc1ccc(-c2cc3ccc(OC(C)=O)cc3s2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.58
ESR1 P03372 5/20 0.49
ESR2 Q92731 5/20 0.49
LMNA P02545 3/20 0.46
GAA P10253 2/20 0.46
HSD17B10 Q99714 1/20 0.45
HDAC6 Q9UBN7 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
GAPDH P04406 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
CYP3A4 P08684 1/20 0.42

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
SCHEMBL7636676 0.93 CA2 (0.51) CA2ESR1ESR2LMNAGAA
SCHEMBL7641278 0.93 ESR1 (0.60) CA2ESR1ESR2HDAC6HDAC3
SCHEMBL7645110 0.93 CA2 (0.54) CA2ESR1ESR2LMNAGAA
SCHEMBL7642201 0.91 CA2 (0.56) CA2ESR1ESR2LMNAGAA
SCHEMBL21470083 0.91 CA2 (0.53) CA2ESR1ESR2LMNAGAA
SCHEMBL7642766 0.90 ESR1 (0.65) CA2ESR1ESR2LMNAGAA
SCHEMBL7639250 0.87 APP (0.58) CA2LMNAGAAHSD17B10HDAC6
SCHEMBL20275901 0.86 CA2 (0.47) CA2ESR1ESR2HSD17B10HDAC6
SCHEMBL7645063 0.85 CA2 (0.47) CA2ESR1ESR2HSD17B10HDAC6
SCHEMBL7775891 0.84 CA2 (0.61) CA2ESR1ESR2

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005003116-A9 PROCESS FOR PREPARING RALOXIFENE HYDROCHLORIDE ERREGIERRE SPA (IT) 2008-09-25 WO claimed
EP-1641773-B1 PROCESS FOR PREPARING RALOXIFENE HYDROCHLORIDE ERREGIERRE SPA (IT) 2008-07-23 EP claimed
US-20070100147-A1 Process for preparing raloxifene hydrochloride ERREGIERRE S.P.A (IT) 2007-05-03 US claimed
EP-1641773-A1 PROCESS FOR PREPARING RALOXIFENE HYDROCHLORIDE ERREGIERRE S.p.A. (IT) 2006-04-05 EP claimed
WO-2005003116-A1 PROCESS FOR PREPARING RALOXIFENE HYDROCHLORIDE ERREGIERRE S.P.A. (IT) 2005-01-13 WO claimed
US-6395769-B1 ACTIVATION ESTROGEN; THERAPY FOR OSTEOPOROSIS, ANTILIPEMIC AGENTS ELI LILLY AND COMPANY 2002-05-28 US claimed
US-6096781-A 2-PHENYL-1-BENZOTHIOPHENE DERIVATIVES ARE USEFUL FOR TREATMENT OF OSTEOPOROSIS AND HYPERLIPEMIA ELI LILLY AND COMPANY (US) 2000-08-01 US claimed
EP-0920862-A1 2-Arylbenzo b thiophenes useful for the treatment of estrogen deprivation syndrome ELI LILLY AND COMPANY (US) 1999-06-09 EP claimed
WO-2011132194-A1 PROCESS FOR THE PREPARATION OF RALOXIFENE HYDROCHLORIDE HETERO RESEARCH FOUNDATION (IN) 2011-10-27 WO disclosed
WO-2005003116-A9 PROCESS FOR PREPARING RALOXIFENE HYDROCHLORIDE ERREGIERRE SPA (IT) 2008-09-25 WO disclosed
WO-2005003116-A9 PROCESS FOR PREPARING RALOXIFENE HYDROCHLORIDE ERREGIERRE SPA (IT) 2008-09-25 WO disclosed
EP-1641773-B1 PROCESS FOR PREPARING RALOXIFENE HYDROCHLORIDE ERREGIERRE SPA (IT) 2008-07-23 EP disclosed
EP-1641773-B1 PROCESS FOR PREPARING RALOXIFENE HYDROCHLORIDE ERREGIERRE SPA (IT) 2008-07-23 EP disclosed
US-20070100147-A1 Process for preparing raloxifene hydrochloride ERREGIERRE S.P.A (IT) 2007-05-03 US disclosed
EP-0693488-A1 An improved process for preparing 3-(4-aminoethoxy-benzoyl)benzo beta -thiophenes ELI LILLY AND COMPANY (US) 1996-01-24 EP disclosed
EP-0062504-B1 PROCESS FOR PREPARING 3-(4-AMINOETHOXYBENZOYL)BENZO(B)THIOPHENES ELI LILLY AND COMPANY (US) 1986-01-02 EP disclosed
US-4418068-A Antiestrogenic and antiandrugenic benzothiophenes ELI LILLY AND COMPANY (US) 1983-11-29 US disclosed
US-4358593-A BY ACYLATION OF PROTECTED 6-HYDROXY,2-(4-HYDROXYPHENYL) BENZO (B)THIOPHENE USING A FRIEDEL CRAFTS CATALYSTS; HYDROLYSIS ELI LILLY AND COMPANY (US) 1982-11-09 US disclosed
EP-0062503-A1 Benzothiophene compounds and process for preparing them ELI LILLY AND COMPANY (US) 1982-10-13 EP disclosed
EP-0062504-A1 Process for preparing 3-(4-aminoethoxybenzoyl)benzo(b)thiophenes ELI LILLY AND COMPANY (US) 1982-10-13 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-20070100147-A1 Process for preparing raloxifene hydrochloride KAT2A, ADH1A, KAT2B CA2 158/4885ESR1 78/4885ESR2 69/4885

“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.