SCHEMBL586226

SCHEMBL586226

CCC(=O)c1ccc(OC(Br)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
MAPT P10636 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
PPARA Q07869 4/20 0.47
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SRD5A2 P31213 1/20 0.44
PPARG P37231 1/20 0.44
LTB4R Q15722 4/20 0.42
LTB4R2 Q9NPC1 4/20 0.42
ELANE P08246 1/20 0.42
HPGD P15428 1/20 0.41
ABCB1 P08183 1/20 0.41

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
SCHEMBL6811455 0.78 PPARA (0.71) SMN1; SMN2MAPTL3MBTL1RAB9ANPC1
SCHEMBL6811644 0.77 PPARA (0.52) SMN1; SMN2MAPTL3MBTL1ALDH1A1PPARA
SCHEMBL28357093 0.76 POLB (0.59) MAPTALDH1A1PPARANPSR1PPARG
SCHEMBL11099701 0.75 KMT2A (0.63) SMN1; SMN2MAPTL3MBTL1RAB9ANPC1
SCHEMBL1269735 0.75 ERCC5 (0.64) SMN1; SMN2MAPTL3MBTL1RAB9ANPC1
SCHEMBL11490486 0.75 SRD5A2 (0.50) GAAHTTPPARALMNASRD5A2
SCHEMBL3485914 0.74 SLC6A4 (0.41) SRD5A2
SCHEMBL10883891 0.74 HDAC3 (0.60) SMN1; SMN2MAPTL3MBTL1RAB9ANPC1
SCHEMBL8057944 0.73 PPARA (0.45) SMN1; SMN2MAPTL3MBTL1RAB9ANPC1
SCHEMBL4730249 0.73 SMN1; SMN2 (0.59) SMN1; SMN2MAPTL3MBTL1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10844047-B2 Process for the preparation of bazedoxifene ERREGIERRE S.P.A. (IT) 2020-11-24 US disclosed
EP-2118058-B9 METHOD FOR THE PREPARATION OF 5-BENZYLOXY-2-(4-BENZYLOXPHENYL)-3-METHYL-1H-INDOLE ZENTIVA KS (CZ) 2012-03-28 EP disclosed
EP-2118058-B1 METHOD FOR THE PREPARATION OF 5-BENZYLOXY-2-(4-BENZYLOXPHENYL)-3-METHYL-1H-INDOLE ZENTIVA KS (CZ) 2011-06-08 EP disclosed
US-20100087661-A1 METHOD FOR THE PREPARATION OF 5-BENZYLOXY-2-(4-BENZYLOXPHENYL)-3-METHYL-1H-INDOLE ZENTIVA K.S. (CZ) 2010-04-08 US disclosed
EP-2118058-A1 METHOD FOR THE PREPARATION OF 5-BENZYLOXY-2-(4-BENZYLOXPHENYL)-3-METHYL-1H-INDOLE Zentiva, k.s. (CZ) 2009-11-18 EP disclosed
WO-2008098527-A1 METHOD FOR THE PREPARATION OF 5-BENZYLOXY-2-(4-BENZYLOXPHENYL)-3-METHYL-1H-INDOLE ZENTIVA A.S. (CZ) 2008-08-21 WO disclosed
US-5710168-A 2-piperidino-1-alkanol derivatives as neuroprotective agents PFIZER INC. (US) 1998-01-20 US disclosed
EP-0398578-B1 2-piperidino-1-alkanol derivatives as antiischemic agents PFIZER (US) 1997-03-12 EP disclosed
CN-1032209-C 2-piperidino-1-alkanol derivatives as antiischemic agents PFIZER (US) 1996-07-03 CN disclosed
US-5527912-A USEFUL INTREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS PFIZER INC. (US) 1996-06-18 US disclosed
US-5338754-A 2-pyrrolidino-1-alkanol derivatives as antiischemic agents PFIZER INC (US) 1994-08-16 US disclosed
US-5272160-A 2-piperidino-1-alkanol derivatives as antiischemic agents PFIZER INC (US) 1993-12-21 US disclosed
US-5185343-A NORTROPYL-1-ALKANOL DERIVATIVES AS ANTIISCHEMIC AGENTS PFIZER INC. (US) 1993-02-09 US disclosed
WO-1990014087-A1 2-PIPERIDINO-1-ALKANOL DERIVATIVES AS ANTIISCHEMIC AGENTS PFIZER INC. (US) 1990-11-29 WO disclosed
WO-1990014088-A1 2-PIPERIDINO-1-ALKANOL DERIVATIVES AS ANTIISCHEMIC AGENTS PFIZER INC. (US) 1990-11-29 WO disclosed
CN-1047291-A The 2-of anti-ischaemic agent croak pyridine subbase-1-alkanol derivatives PFIZER (US) 1990-11-28 CN disclosed
EP-0398578-A2 2-piperidino-1-alkanol derivatives as antiischemic agents PFIZER INC. (US) 1990-11-22 EP disclosed
US-4528194-A 2-(4-Diphenylmethylpiperazinyl)-1-phenyl alkanol or their salts, a process for their production and a cerebral circulation-improving drug NIPPON CHEMIPHAR CO., LTD. (JP) 1985-07-09 US disclosed
US-4233307-A Spiro-4'-piperidine compounds and their pharmaceutical compositions SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-11-11 US disclosed
US-3966814-A PERIPHERAL VASODILATORS, ANTIHISTAMINES, SPASMOLYTICS BOEHRINGER INGELHEIM GMBH (DT) 1976-06-29 US 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-20100087661-A1 METHOD FOR THE PREPARATION OF 5-BENZYLOXY-2-(4-BENZYLOXPHENYL)-3-METHYL-1H-INDOLE CYP19A1, CYP17A1, SHBG SMN1; SMN2 3052/4885MAPT 4498/4885L3MBTL1 4564/4885
US-10844047-B2 Process for the preparation of bazedoxifene CYP19A1, CYP3A5, CYP4A11 SMN1; SMN2 4104/4885MAPT 3158/4885L3MBTL1 4804/4885

“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.