SCHEMBL5057097

SCHEMBL5057097

Cc1ccc(C)c(C(O)C(C)N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.42
ADRA2A P08913 2/20 0.42
CYP2D6 P10635 1/20 0.42
BLM P54132 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 5/20 0.41
LMNA P02545 4/20 0.41
HIF1A Q16665 2/20 0.41
ADRA2C P18825 1/20 0.41
TDP1 Q9NUW8 5/20 0.40
RECQL P46063 4/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
THPO P40225 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL7783897 1.00 ADRA1A (0.42) ADRA1AADRA2ACYP2D6BLMKMT2A
Hydrochloric Acid SCHEMBL8781949 0.98 BLM (0.44) ADRA1AADRA2ACYP2D6BLMKMT2A
SCHEMBL7787261 0.88 LMNA (0.44) ADRA1AADRA2ACYP2D6BLMKMT2A
SCHEMBL21360226 0.88 LMNA (0.44) ADRA1AADRA2ACYP2D6BLMKMT2A
SCHEMBL5057122 0.88 LMNA (0.44) ADRA1AADRA2ACYP2D6BLMKMT2A
SCHEMBL4169342 0.83 LMNA (0.42) ADRA1AKMT2AMEN1LMNATDP1
SCHEMBL4178220 0.83 LMNA (0.42) ADRA1AKMT2AMEN1LMNATDP1
SCHEMBL4161041 0.83 LMNA (0.42) ADRA1AKMT2AMEN1LMNATDP1
SCHEMBL9984624 0.83 ALDH1A1 (0.46) ADRA1ACYP2D6KMT2AMEN1KDM4E
SCHEMBL8285908 0.83 ALDH1A1 (0.46) ADRA1ACYP2D6KMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0713848-B1 Process for producing optically active carbinols SUMIKA FINE CHEMICALS COMPANY (JP) 1999-09-08 EP claimed
US-5831132-A REDUCING AGENT FROM BORANES AND AMINO ALCOHOLS SUMIKA FINE CHEMICALS COMPANY, LTD. (JP) 1998-11-03 US claimed
EP-0713848-A1 Process for producing optically active carbinols SUMIKA FINE CHEMICALS Company, Limited (JP) 1996-05-29 EP claimed
JP-61078754-A None JP disclosed
US-7365212-B2 Method for the in situ preparation of chiral compounds derived from oxazaborolidine-borane complexes which are used in asymmetric reduction reactions ZACH SYSTEM S.P.A. (IT) 2008-04-29 US disclosed
EP-1673375-B1 METHOD FOR THE IN SITU PREPARATION OF CHIRAL COMPOUNDS DERIVED FROM OXAZABOROLIDINE-BORANE COMPLEXES, WHICH ARE USED IN ASYMMETRIC REDUCTION REACTIONS PPG SIPSY (FR) 2007-08-01 EP disclosed
US-20070055068-A1 Method for the in situ preparation of chiral compounds derived from oxazaborolidine-borane complexes which are used in asymmetric reduction reactions PPG-SIPSY (FR) 2007-03-08 US disclosed
EP-1673375-A2 METHOD FOR THE IN SITU PREPARATION OF CHIRAL COMPOUNDS DERIVED FROM OXAZABOROLIDINE-BORANE COMPLEXES, WHICH ARE USED IN ASYMMETRIC REDUCTION REACTIONS PPG-Sipsy (FR) 2006-06-28 EP disclosed
WO-2005035540-A2 METHOD FOR THE IN SITU PREPARATION OF CHIRAL COMPOUNDS DERIVED FROM OXAZABOROLIDINE-BORANE COMPLEXES, WHICH ARE USED IN ASYMMETRIC REDUCTION REACTIONS PPG-SIPSY (FR) 2005-04-21 WO disclosed
EP-0736509-B1 Processes for preparing optically active alcohols and optically active amines SUMITOMO CHEMICAL CO (JP) 2001-11-14 EP disclosed
US-6156940-A Process for producing optically active carbinols SUMIKA FINE CHEMICALS COMPANY, LIMITED (JP) 2000-12-05 US disclosed
US-4923999-A Optically active borane complex and a method for producing an optically active alcohol derivative by the use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-05-08 US disclosed
EP-0142566-B1 ASYMMETRICALLY MODIFIED BORON HYDRIDE COMPOUNDS, PROCESS FOR ITS PREPARATION, AND PROCESS FOR PREPARING OPTICALLY ACTIVE ALCOHOL DERIVATIVE USING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-08-23 EP disclosed
EP-0171175-B1 AN OPTICALLY ACTIVE BORANE COMPLEX AND A METHOD FOR PRODUCING AN OPTICALLY ACTIVE ALCOHOL DERIVATIVE BY THE USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-05-24 EP disclosed
US-4760149-A Asymmetrically reducing a ketone with an asymmetrically modified borohydride compound obtained by reacting a borohydride with optically active amino alcohol SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-07-26 US disclosed
US-4749809-A Optically active borane complex and a method for producing an optically active alcohol derivative by the use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-06-07 US disclosed
EP-0237305-A2 A method for producing optically active amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-09-16 EP disclosed
JP-S6178754-A AMINOALCOHOL AND ITS PREPARATION SUMITOMO CHEM CO LTD 1986-04-22 JP disclosed
EP-0171175-A1 An optically active borane complex and a method for producing an optically active alcohol derivative by the use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-02-12 EP disclosed
EP-0142566-A1 ASYMMETRICALLY MODIFIED BORON HYDRIDE COMPOUNDS, PROCESS FOR ITS PREPARATION, AND PROCESS FOR PREPARING OPTICALLY ACTIVE ALCOHOL DERIVATIVE USING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-05-29 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-20070055068-A1 Method for the in situ preparation of chiral compounds derived from oxazaborolidine-borane complexes which are used in asymmetric reduction reactions OGFR, OXSR1, OTC ADRA1A 1001/4885ADRA2A 917/4885CYP2D6 1480/4885

“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.