SCHEMBL5055098

SCHEMBL5055098

CCOc1ccc(OCC)c(C(O)C(C)N)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.62
ADRA1A P35348 2/20 0.62
CYP2D6 P10635 1/20 0.62
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
MAPK1 P28482 1/20 0.60
BLM P54132 1/20 0.60
KDM4E B2RXH2 1/20 0.43
NQO1 P15559 1/20 0.41
HTT P42858 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
HIF1A Q16665 1/20 0.39
NPC1 O15118 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
EPHX1 P07099 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL7784261 1.00 ADRA2A (0.62) ADRA2AADRA1ACYP2D6MEN1KMT2A
Hydrochloric Acid SCHEMBL9868612 0.98 MEN1 (0.63) ADRA2AADRA1ACYP2D6MEN1KMT2A
SCHEMBL5054877 0.86 ADRA2A (0.57) ADRA2AADRA1ACYP2D6MEN1KMT2A
SCHEMBL7786066 0.86 ADRA2A (0.57) ADRA2AADRA1ACYP2D6MEN1KMT2A
SCHEMBL9632245 0.86 ADRA2A (0.45) ADRA2AADRA1ACYP2D6MEN1KMT2A
SCHEMBL13539975 0.84 ADRA1A (0.59) ADRA2AADRA1ACYP2D6MEN1KMT2A
SCHEMBL13539938 0.84 ADRA1A (0.59) ADRA2AADRA1ACYP2D6MEN1KMT2A
SCHEMBL13539919 0.84 ADRA1A (0.59) ADRA2AADRA1ACYP2D6MEN1KMT2A
SCHEMBL13539976 0.84 ADRA1A (0.59) ADRA2AADRA1ACYP2D6MEN1KMT2A
SCHEMBL7786044 0.84 CYP2D6 (0.50) ADRA2AADRA1ACYP2D6MEN1KMT2A

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 34 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
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
CN-1867571-A In situ preparation of chiral derivatives of oxaborolidine-borane complexes, useful in asymmetric reduction reactions of etheroximes or ketones to chiral alcohols or amines PPG SIPSY (FR) 2006-11-22 CN 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
EP-0485069-A1 Process for producing optically active amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-05-13 EP disclosed
US-5041651-A Produced by reacting optically active aminoalcohol or salt with borane or metal borohydride SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-08-20 US disclosed
EP-0381434-A1 Process for producing optically active alcohol SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-08-08 EP 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-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
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

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 ADRA2A 917/4885ADRA1A 1001/4885CYP2D6 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.