SCHEMBL6891173

SCHEMBL6891173

O[C@@H](CBr)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
KDM4E B2RXH2 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
AOC3 Q16853 5/20 0.54
RIPK1 Q13546 1/20 0.50
BCAT2 O15382 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPK1 P28482 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL3578847 1.00 LMNA (0.61) LMNAKDM4EL3MBTL1AOC3RIPK1
SCHEMBL1318953 1.00 LMNA (0.61) LMNAKDM4EL3MBTL1AOC3RIPK1
SCHEMBL24164093 1.00 LMNA (0.61) LMNAKDM4EL3MBTL1AOC3RIPK1
SCHEMBL8010970 0.82 RIPK1 (0.55) LMNAKDM4EL3MBTL1AOC3RIPK1
SCHEMBL8907610 0.80 RIPK1 (0.53) LMNAKDM4EL3MBTL1AOC3RIPK1
SCHEMBL3096537 0.80 LMNA (0.64) LMNAKDM4EL3MBTL1AOC3RIPK1
SCHEMBL3096547 0.80 LMNA (0.64) LMNAKDM4EL3MBTL1AOC3RIPK1
SCHEMBL3081755 0.80 RIPK1 (0.64) LMNAKDM4EL3MBTL1AOC3RIPK1
SCHEMBL12213295 0.80 LMNA (0.64) LMNAKDM4EL3MBTL1AOC3RIPK1
SCHEMBL75867 0.80 LMNA (0.64) LMNAKDM4EL3MBTL1AOC3RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102517342-A Method for catalytic synthesis of R-2-bromo-1-aryl alcohol using carrot root whole cells UNIV JIANGNAN 2012-06-27 CN claimed
CN-114560892-A Chiral tridentate nitrogen phosphine ligand synthesized based on ferrocene skeleton and application thereof 广东工业大学 2022-05-31 CN disclosed
US-10309035-B2 Method of preparing sample for crystal structure analysis, method of determining absolute configuration of chiral compound, and polynuclear metal complex monocrystal THE UNIVERSITY OF TOKYO (JP) 2019-06-04 US disclosed
US-10309035-B2 Method of preparing sample for crystal structure analysis, method of determining absolute configuration of chiral compound, and polynuclear metal complex monocrystal THE UNIVERSITY OF TOKYO (JP) 2019-06-04 US disclosed
EP-3118610-B1 METHOD OF PREPARING SAMPLE FOR CRYSTAL STRUCTURE ANALYSIS, METHOD OF DETERMINING ABSOLUTE CONFIGURATION OF CHIRAL COMPOUND, AND POLYNUCLEAR METAL COMPLEX MONOCRYSTAL UNIV TOKYO (JP) 2018-06-06 EP disclosed
US-20170016138-A1 METHOD OF PREPARING SAMPLE FOR CRYSTAL STRUCTURE ANALYSIS, METHOD OF DETERMINING ABSOLUTE CONFIGURATION OF CHIRAL COMPOUND, AND POLYNUCLEAR METAL COMPLEX MONOCRYSTAL THE UNIVERSITY OF TOKYO (JP) 2017-01-19 US disclosed
US-20170016138-A1 METHOD OF PREPARING SAMPLE FOR CRYSTAL STRUCTURE ANALYSIS, METHOD OF DETERMINING ABSOLUTE CONFIGURATION OF CHIRAL COMPOUND, AND POLYNUCLEAR METAL COMPLEX MONOCRYSTAL THE UNIVERSITY OF TOKYO (JP) 2017-01-19 US disclosed
US-20170016138-A1 METHOD OF PREPARING SAMPLE FOR CRYSTAL STRUCTURE ANALYSIS, METHOD OF DETERMINING ABSOLUTE CONFIGURATION OF CHIRAL COMPOUND, AND POLYNUCLEAR METAL COMPLEX MONOCRYSTAL THE UNIVERSITY OF TOKYO (JP) 2017-01-19 US disclosed
EP-3118610-A1 METHOD OF PREPARING SAMPLE FOR CRYSTAL STRUCTURE ANALYSIS, METHOD OF DETERMINING ABSOLUTE CONFIGURATION OF CHIRAL COMPOUND, AND POLYNUCLEAR METAL COMPLEX MONOCRYSTAL The University of Tokyo (JP) 2017-01-18 EP disclosed
CN-102517342-A Method for catalytic synthesis of R-2-bromo-1-aryl alcohol using carrot root whole cells UNIV JIANGNAN 2012-06-27 CN disclosed
EP-1317461-A1 4-CYCLOHEXYL-1,3,2-OXAZABOROLIDINE CHIRAL ACCESSORIES SCHERING CORPORATION (US) 2003-06-11 EP disclosed
US-6509472-B2 For use in enantioselective reduction of prochiral ketones to chiral secondary alcohols SCHERING CORPORATION 2003-01-21 US disclosed
US-20020038053-A1 For use in enantioselective reduction of prochiral ketones to chiral secondary alcohols SCHERING CORPORATION 2002-03-28 US disclosed
WO-2002022623-A1 4-CYCLOHEXYL-1,3,2-OXAZABOROLIDINE CHIRAL ACCESSORIES SCHERING CORPORATION (US) 2002-03-21 WO disclosed
US-6156940-A Process for producing optically active carbinols SUMIKA FINE CHEMICALS COMPANY, LIMITED (JP) 2000-12-05 US disclosed
EP-0713848-B1 Process for producing optically active carbinols SUMIKA FINE CHEMICALS COMPANY (JP) 1999-09-08 EP disclosed
US-5831132-A REDUCING AGENT FROM BORANES AND AMINO ALCOHOLS SUMIKA FINE CHEMICALS COMPANY, LTD. (JP) 1998-11-03 US disclosed
EP-0713848-A1 Process for producing optically active carbinols SUMIKA FINE CHEMICALS Company, Limited (JP) 1996-05-29 EP disclosed
EP-0198440-B1 PROCESS FOR PREPARING OPTICALLY ACTIVE 2-HALO-1-PHENYL ETHANOL KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1992-08-26 EP disclosed
US-4857468-A BIOSYNTHESIS KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1989-08-15 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 (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-20020038053-A1 For use in enantioselective reduction of prochiral ketones to chiral secondary alcohols ADH5, ADH1A, ADH1C LMNA 2990/4885KDM4E 3167/4885L3MBTL1 3865/4885

“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.