SCHEMBL534037

SCHEMBL534037

CC(C)OCCOCc1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
ADRB3 P13945 1/20 0.50
LMNA P02545 2/20 0.48
IDO1 P14902 2/20 0.45
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
ALOX12 P18054 1/20 0.42
NFKB1 P19838 1/20 0.42
APEX1 P27695 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
NR4A2 P43354 1/20 0.38
APP P05067 1/20 0.38
MAOB P27338 6/20 0.38
GAA P10253 1/20 0.38
MAOA P21397 3/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL10268290 0.85 ADRB2 (0.50) ADRB2ADRB1ADRB3LMNAIDO1
SCHEMBL21505013 0.85 ADRB2 (0.50) ADRB2ADRB1ADRB3LMNAIDO1
SCHEMBL3369539 0.85 ADRB2 (0.54) ADRB2ADRB1ADRB3LMNAIDO1
SCHEMBL4686836 0.84 IDO1 (0.52) LMNAIDO1ALDH1A1APPMAOB
SCHEMBL134086 0.83 IDO1 (0.61) IDO1KMT2AAPPMAOBCHRM3
SCHEMBL23421663 0.83 IDO1 (0.53) ADRB2ADRB1ADRB3LMNAIDO1
SCHEMBL7863823 0.82 TSHR (0.54) ADRB2ADRB1ADRB3LMNAALDH1A1
SCHEMBL14545522 0.81 ADRB2 (0.55) ADRB2ADRB1ADRB3LMNAIDO1
SCHEMBL21578433 0.81 IDO1 (0.58) IDO1KMT2AAPPMAOBCHRM3
SCHEMBL9342899 0.81 IDO1 (0.58) IDO1KMT2AAPPMAOBCHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115974802-B Preparation method of bisoprolol fumarate intermediate 黑龙江珍宝岛药业股份有限公司鸡西分公司 2025-01-10 CN disclosed
CN-115974802-A Preparation method of bisoprolol fumarate intermediate 黑龙江珍宝岛药业股份有限公司鸡西分公司 2023-04-18 CN disclosed
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
EP-2413941-A1 RENIN INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-02-08 EP disclosed
US-5919793-A QUINUCLIDINE DERIVATIVES, SQUALENE SYNTHETASE INHIBITORS, ANTICHOLESTEROL AGENTS ZENECA LIMITED (GB) 1999-07-06 US disclosed
CN-1121718-A Heterocyclic derivatives ZENECA LTD (GB) 1996-05-01 CN disclosed
EP-0696284-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1996-02-14 EP disclosed
WO-1994025459-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1994-11-10 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 ADRB2 59/4885ADRB1 30/4885ADRB3 37/4885

“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.