SCHEMBL6846728

SCHEMBL6846728

CCOC(=O)C1CCc2cc(F)ccc2O1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.72
CYP4A11 Q02928 1/20 0.72
MLNR O43193 1/20 0.46
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD2 P14416 1/20 0.46
KCNE1 P15382 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
CNR1 P21554 1/20 0.46
SLC6A2 P23975 1/20 0.46
NPY1R P25929 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
AVPR2 P30518 1/20 0.46
SLC6A4 P31645 1/20 0.46

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
SCHEMBL908570 1.00 CYP4F2 (0.72) CYP4F2CYP4A11MLNRADRB2ADRB1
SCHEMBL14681244 1.00 CYP4F2 (0.72) CYP4F2CYP4A11MLNRADRB2ADRB1
SCHEMBL19174157 1.00 CYP4F2 (0.72) CYP4F2CYP4A11MLNRADRB2ADRB1
SCHEMBL29397407 1.00 CYP4F2 (0.72) CYP4F2CYP4A11MLNRADRB2ADRB1
SCHEMBL1044067 0.90 CYP4F2 (0.61) CYP4F2CYP4A11ALDH1A1TDP1POLB
SCHEMBL915319 0.87 CYP4F2 (0.56) CYP4F2CYP4A11MLNRADRB2ADRB1
SCHEMBL13230299 0.87 CYP4F2 (0.75) CYP4F2CYP4A11CHRM1ALDH1A1POLB
SCHEMBL10508228 0.86 CYP4F2 (0.73) CYP4F2CYP4A11ALDH1A1POLBKMT2A
SCHEMBL3911095 0.85 CYP4F2 (0.54) CYP4F2CYP4A11MLNRADRB2ADRB1
SCHEMBL13762677 0.85 CYP4F2 (0.52) CYP4F2CYP4A11MLNRADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110791488-A Lipase for splitting chiral compound and preparation method and application thereof 西南交通大学 2020-02-14 CN claimed
CN-114149956-B Escherichia coli genetically engineered bacterium for expressing esterase EstR and application thereof 华东理工大学 2024-04-09 CN disclosed
CN-114214261-B Escherichia coli genetically engineered bacterium for expressing esterase EstS and application thereof 华东理工大学 2024-04-09 CN disclosed
CN-114150036-B Continuous biphasic batch resolution process for preparing optically pure 6-fluoro-chroman-2-carboxylic acid 华东理工大学 2024-01-09 CN disclosed
EP-3974419-A2 NEBIVOLOL SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF Zhejiang Ausun Pharmaceutical Co., Ltd. (CN) 2022-03-30 EP disclosed
CN-114214261-A Escherichia coli genetic engineering bacterium for expressing esterase EstS and application thereof 华东理工大学 2022-03-22 CN disclosed
CN-114150036-A Continuous two-phase batch resolution process for preparing optically pure 6-fluoro-chroman-2-carboxylic acid 华东理工大学 2022-03-08 CN disclosed
CN-114149956-A Escherichia coli genetic engineering bacterium for expressing esterase EstR and application thereof 华东理工大学 2022-03-08 CN disclosed
US-20220056003-A1 NEBIVOLOL SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF ZHEJIANG AUSUN PHARMACEUTICAL CO., LTD. (CN) 2022-02-24 US disclosed
US-11142512-B2 Nebivolol synthesis method and intermediate compound thereof ZHEJIANG AUSUN PHARMACEUTICAL CO., LTD. (CN) 2021-10-12 US disclosed
US-20090048457-A1 PROCESS FOR PREPARATION OF RACEMIC NEBIVOLOL CIMEX PHARMA AG (CH) 2009-02-19 US disclosed
EP-1332133-B1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2008-07-09 EP disclosed
WO-2008040528-A2 PROCESS FOR PREPARING NEBIVOLOL ZACH SYSTEM S.P.A. (IT) 2008-04-10 WO disclosed
WO-2008010022-A2 A PROCESS FOR PREPARATION OF RACEMIC NEBIVOLOL CIMEX PHARMA AG (US) 2008-01-24 WO disclosed
US-7115630-B2 Metabotropic glutamate receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-03 US disclosed
US-20060083676-A1 Radiolabelled quinoline and quinolinone derivatives and their use as metabotropic glutamate receptor ligands JANSSEN PHARMACEUTIA N.V. (BE) 2006-04-20 US disclosed
US-20040082592-A1 Metabotropic glutamate receptor antagonists JANSSEN-CILAG SA (FR) 2004-04-29 US disclosed
EP-0145067-B1 DERIVATIVES OF 2,2'-IMINOBISETHANOL JANSSEN PHARMACEUTICA N.V. (BE) 1989-01-25 EP disclosed
US-4654362-A CARDIOVASCULAR DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 1987-03-31 US disclosed
EP-0145067-A2 Derivatives of 2,2'-iminobisethanol JANSSEN PHARMACEUTICA N.V. (BE) 1985-06-19 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 (5 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-20040082592-A1 Metabotropic glutamate receptor antagonists GRM3, GRM1, GRIN3A CYP4F2 716/4885CYP4A11 369/4885MLNR 1058/4885
US-20090048457-A1 PROCESS FOR PREPARATION OF RACEMIC NEBIVOLOL ADRB1, ADRB2, ADRA2B CYP4F2 258/4885CYP4A11 35/4885MLNR 452/4885
US-11142512-B2 Nebivolol synthesis method and intermediate compound thereof CYP4A11, CYP11B2, ADRB1 CYP4F2 122/4885CYP4A11 1/4885MLNR 2189/4885
US-20060083676-A1 Radiolabelled quinoline and quinolinone derivatives and their use as metabotropic glutamate receptor ligands GRM3, GRM1, GRM2 CYP4F2 260/4885CYP4A11 511/4885MLNR 984/4885
US-20220056003-A1 NEBIVOLOL SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF CYP4A11, CYP11B2, CYP11B1 CYP4F2 115/4885CYP4A11 1/4885MLNR 2057/4885

“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.