SCHEMBL2923101

SCHEMBL2923101

C[C@@H](O)COc1c([N+](=O)[O-])ccc(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
ALDH1A1 P00352 5/20 0.36
MAPT P10636 1/20 0.36
SRD5A2 P31213 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HIF1A Q16665 1/20 0.35
RECQL P46063 2/20 0.34
HSPB1 P04792 1/20 0.34
HTT P42858 1/20 0.34
CLPP Q16740 2/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL1496810 1.00 LMNA (0.39) LMNAALDH1A1MAPTSRD5A2L3MBTL1
SCHEMBL8979401 1.00 LMNA (0.39) LMNAALDH1A1MAPTSRD5A2L3MBTL1
SCHEMBL1496673 0.87 ALDH1A1 (0.40) LMNAALDH1A1MAPTSRD5A2L3MBTL1
SCHEMBL10433795 0.86 TDP1 (0.38) LMNAALDH1A1MAPTSRD5A2L3MBTL1
SCHEMBL10434223 0.86 TDP1 (0.38) LMNAALDH1A1MAPTSRD5A2L3MBTL1
SCHEMBL10433794 0.86 TDP1 (0.38) LMNAALDH1A1MAPTSRD5A2L3MBTL1
SCHEMBL10918401 0.85 L3MBTL1 (0.39) LMNAALDH1A1MAPTL3MBTL1GAA
SCHEMBL1496747 0.84 L3MBTL1 (0.40) LMNAALDH1A1L3MBTL1ATMTDP1
SCHEMBL10434023 0.84 ATM (0.35) LMNAALDH1A1MAPTSRD5A2ATM
SCHEMBL10434021 0.84 ATM (0.35) LMNAALDH1A1MAPTSRD5A2ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1179595-B1 (R)-2-OCTANOL DEHYDROGENASES, METHODS FOR PRODUCING THE ENZYMES, DNA ENCODING THE ENZYMES, AND METHODS FOR PRODUCING ALCOHOLS USING THE ENZYMES DAICEL CHEM (JP) 2010-09-01 EP claimed
US-20040126857-A1 (R)-2-octanol dehydrogenases, methods for producing the enzymes, DNA encoding the enzymes, and methods for producing alcohols using the enzymes DAICEL CHEMICAL INDUSTRIES, LTD., A JAPAN CORPORATION 2004-07-01 US claimed
US-20020192783-A1 (R)-2-octanol dehydrogenases, methods for producing the enzymes, DNA encoding the enzymes, and methods for producing alcohols using the enzymes DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-19 US claimed
US-6448449-B2 RING OPENING OF (R)-PROPYLENE OXIDE WITH ARYLTRIMETHYLSILYL ETHER IN THE PRESENCE OF AN OPTICALLY ACTIVE CATALYST; REACTING WITH AN ALCOHOL IN THE PRESENCE OF AN ACID; REACTING THE REGIOISOMERIC MIXTURE WITH A TRIARYLMETHYL HALILE; RHODIA CHIREX, INC. 2002-09-10 US claimed
EP-1179595-A1 (R)-2-OCTANOL DEHYDROGENASE, PROCESS FOR PRODUCING THE ENZYME, DNA ENCODING THE ENZYME AND PROCESS FOR PRODUCING ALCOHOL BY USING THE SAME Daicel Chemical Industries, Ltd. (JP) 2002-02-13 EP claimed
US-20020007090-A1 Process for preparation of (R)-1- (aryloxy)propan-2-ol RHODIA CHIREX, INC. 2002-01-17 US claimed
EP-1179595-B1 (R)-2-OCTANOL DEHYDROGENASES, METHODS FOR PRODUCING THE ENZYMES, DNA ENCODING THE ENZYMES, AND METHODS FOR PRODUCING ALCOHOLS USING THE ENZYMES DAICEL CHEM (JP) 2010-09-01 EP disclosed
EP-1367132-B1 PROCESS FOR PREPARATION OF OPTICALLY ACTIVE PROPOXYANILINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2009-08-12 EP disclosed
US-7217560-B2 Process for preparation of optically active propoxyaniline derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-15 US disclosed
US-7217560-B2 Process for preparation of optically active propoxyaniline derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-15 US disclosed
US-7202069-B2 (R)-2-octanol dehydrogenases, methods for producing the enzymes, DNA encoding the enzymes, and methods for producing alcohols using the enzymes DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-04-10 US disclosed
US-7189847-B2 Process for producing benzoxazine derivative and production intermediate thereof DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-13 US disclosed
JP-2004313033-A NEW CARBONYL REDUCTASE, GENE ENCODING THE SAME AND USE THEREOF DAIICHI FINE CHEMICAL CO LTD 2004-11-11 JP disclosed
US-6172268-B1 REACTING A HYDROXY AROMATIC COMPOUND WITH A PROPYLENE OXIDE IN PRESENCE OF METAL COMPLEX CATALYST ASAHI GLASS COMPANY, LIMITED (JP) 2001-01-09 US disclosed
JP-2000063314-A PRODUCTION OF OPTICALLY ACTIVE 1-SUBSTITUTED-2-PROPANOL ASAHI GLASS CO LTD 2000-02-29 JP disclosed
EP-0322815-B1 Propoxybenzene derivatives and process for preparing the same DAIICHI SEIYAKU CO (JP) 1996-05-15 EP disclosed
US-5312999-A Propoxybenzene derivatives and process for preparing the same DAIICHI SEIYAKU CO., LTD. (JP) 1994-05-17 US disclosed
US-5136059-A PROPOXYBENZENE DERIVATIVES AND PROCESS FOR PREPARING THE SAME DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1992-08-04 US disclosed
EP-0368410-A2 Optically active benzoxazines and bezothiazines and a process for their stereospecific preparation GIST-BROCADES N.V. (NL) 1990-05-16 EP disclosed
EP-0322815-A2 Propoxybenzene derivatives and process for preparing the same DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1989-07-05 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 (3 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-20020007090-A1 Process for preparation of (R)-1- (aryloxy)propan-2-ol TOP1, POLN, RIF1 LMNA 389/4885ALDH1A1 180/4885MAPT 3549/4885
US-20040126857-A1 (R)-2-octanol dehydrogenases, methods for producing the enzymes, DNA encoding the enzymes, and methods for producing alcohols using the enzymes OGA, HOGA1, ADH1A LMNA 3974/4885ALDH1A1 41/4885MAPT 3790/4885
US-20020192783-A1 (R)-2-octanol dehydrogenases, methods for producing the enzymes, DNA encoding the enzymes, and methods for producing alcohols using the enzymes OGA, HOGA1, ADH1A LMNA 3974/4885ALDH1A1 41/4885MAPT 3790/4885

“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.