SCHEMBL5055100

SCHEMBL5055100

CCOc1c(Cl)cccc1C(=O)CBr

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
PTPN1 P18031 1/20 0.42
ALDH1A1 P00352 3/20 0.41
RAB9A P51151 3/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
ABL1 P00519 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
RIN1 Q13671 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
PDE4D Q08499 1/20 0.40
NPC1 O15118 2/20 0.39
ATM Q13315 1/20 0.38
HPGDS O60760 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37

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
SCHEMBL5050019 0.84 HPGDS (0.46) KMT2APTPN1ALDH1A1RAB9ALMNA
SCHEMBL31173665 0.82 KMT2A (0.53) KMT2AALDH1A1RAB9AGAAMEN1
SCHEMBL18700984 0.82 KMT2A (0.53) KMT2AALDH1A1RAB9AGAAMEN1
SCHEMBL8622428 0.82 KMT2A (0.41) KMT2AALDH1A1RAB9AGAAMEN1
SCHEMBL5055147 0.80 HPGDS (0.50) KMT2APTPN1ALDH1A1RAB9AMEN1
SCHEMBL8262732 0.79 NR4A2 (0.47) KMT2AALDH1A1RAB9AGAAMEN1
SCHEMBL3330772 0.79 TSHR (0.58) KMT2AALDH1A1L3MBTL1ATMKDM4E
SCHEMBL11059263 0.79 KMT2A (0.45) KMT2AALDH1A1RAB9AGAAMEN1
SCHEMBL5051582 0.78 PTPN1 (0.49) KMT2APTPN1ALDH1A1RAB9AMEN1
SCHEMBL16957106 0.78 L3MBTL1 (0.45) KMT2AALDH1A1RAB9AGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-6025531-A REACTING A PROCHIRAL KETONE WITH A MIXTURE BORON-CONTAINING COMPOUNDS HAVING A BORANE REACTION PRODUCT FROM OPTICALLY ACTIVE BETA-AMINOALCOHOL AND A BORON HYDRIDE OR A METAL BOROHYDRIDE, AND AN OPTICALLY ACTIVE OXAZABOROLIDINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-15 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
US-5801280-A Processes for preparing optically active alcohols and optically active amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-09-01 US disclosed
EP-0736509-A2 Processes for preparing optically active alcohols and optically active amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-10-09 EP disclosed
EP-0713848-A1 Process for producing optically active carbinols SUMIKA FINE CHEMICALS Company, Limited (JP) 1996-05-29 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 KMT2A 1857/4885PTPN1 4523/4885ALDH1A1 280/4885

“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.