SCHEMBL1497875

SCHEMBL1497875

CCOC(=O)C(CCc1ccc(OCc2ccccc2)cc1)(NC(C)=O)C(=O)OCC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
RECQL P46063 1/20 0.60
ATM Q13315 1/20 0.52
THRB P10828 2/20 0.49
TAAR1 Q96RJ0 1/20 0.49
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
FFAR1 O14842 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
PKM P14618 1/20 0.49
HTT P42858 1/20 0.48
LTB4R Q15722 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
MAOB P27338 1/20 0.47
ALOX5 P09917 3/20 0.46

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
SCHEMBL5991929 0.89 ALDH1A1 (0.74) ALDH1A1RECQLATMTHRBTAAR1
SCHEMBL3108951 0.88 ALDH1A1 (0.47) ALDH1A1RECQLLMNAL3MBTL1FFAR1
SCHEMBL14555216 0.87 ALDH1A1 (0.61) ALDH1A1RECQLATMTHRBTAAR1
SCHEMBL8538518 0.86 ALDH1A1 (0.66) ALDH1A1RECQLATMTHRBTAAR1
SCHEMBL6506349 0.84 ALDH1A1 (0.64) ALDH1A1RECQLATMTHRBTAAR1
SCHEMBL7714028 0.82 FFAR1 (0.55) ALDH1A1LMNAL3MBTL1FFAR1FFAR4
SCHEMBL1563297 0.82 ALDH1A1 (0.46) ALDH1A1RECQLATMLMNAL3MBTL1
SCHEMBL8500276 0.82 ATM (0.61) ALDH1A1RECQLATMTHRBL3MBTL1
SCHEMBL8497043 0.82 ATM (0.61) ALDH1A1RECQLATMTHRBL3MBTL1
SCHEMBL8538236 0.82 ATM (0.61) ALDH1A1RECQLATMTHRBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120277194-A1 AMINOPROPANOL DERIVATIVES ALBERT RAINER (CH) 2012-11-01 US disclosed
US-20110118210-A1 AMINOPROPANOL DERIVATIVES ALBERT RAINER 2011-05-19 US disclosed
US-7902175-B2 Aminopropanol derivatives NOVARTIS AG (CH) 2011-03-08 US disclosed
EP-1660449-B1 AMINOPROPANOL DERIVATIVES NOVARTIS AG (CH) 2009-11-18 EP disclosed
US-7612238-B2 Such as (R)-2-amino-2-methyl-4-[4-(4,4,5,5,5-pentafluoro-pentyloxy)-phenyl]-butan-1-ol hydrochloride for treatment of disorders or diseases mediated by lymphocytes, and for treating acute or chronic transplant rejection or T-cell-mediated inflammatory or autoimmune diseases NOVARTIS AG (CH) 2009-11-03 US disclosed
US-7612238-B2 Such as (R)-2-amino-2-methyl-4-[4-(4,4,5,5,5-pentafluoro-pentyloxy)-phenyl]-butan-1-ol hydrochloride for treatment of disorders or diseases mediated by lymphocytes, and for treating acute or chronic transplant rejection or T-cell-mediated inflammatory or autoimmune diseases NOVARTIS AG (CH) 2009-11-03 US disclosed
US-20090156556-A1 AMINOPROPANOL DERIVATIVES ALBERT RAINER 2009-06-18 US disclosed
US-7528120-B2 Aminopropanol derivatives NOVARTIS AG (CH) 2009-05-05 US disclosed
US-20060264403-A1 Aminopropanol derivatives NOVARTIS AG (CH) 2006-11-23 US disclosed
US-20060166940-A1 Amino-propanol derivatives NOVARTIS AG (CH) 2006-07-27 US disclosed
EP-1660449-A1 AMINOPROPANOL DERIVATIVES Novartis AG (CH) 2006-05-31 EP disclosed
EP-1539674-A1 AMINO-PROPANOL DERIVATIVES Novartis AG (CH) 2005-06-15 EP disclosed
WO-2005021503-A1 AMINOPROPANOL DERIVATIVES NOVARTIS AG (CH) 2005-03-10 WO disclosed
WO-2004024673-A1 AMINO-PROPANOL DERIVATIVES NOVARTIS AG (CH) 2004-03-25 WO 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 (5 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-20110118210-A1 AMINOPROPANOL DERIVATIVES ADRB1, ADRA1D, ADRA1A ALDH1A1 94/4885RECQL 4066/4885ATM 487/4885
US-20090156556-A1 AMINOPROPANOL DERIVATIVES ADRB1, ADRA1D, ADRA1A ALDH1A1 94/4885RECQL 4066/4885ATM 487/4885
US-20060166940-A1 Amino-propanol derivatives ADRB1, ADRB3, ADRA1D ALDH1A1 311/4885RECQL 4118/4885ATM 1378/4885
US-20120277194-A1 AMINOPROPANOL DERIVATIVES ADRB1, ADRA1D, ADRA1A ALDH1A1 94/4885RECQL 4066/4885ATM 487/4885
US-20060264403-A1 Aminopropanol derivatives ADRB1, ADRA1D, ADRA1A ALDH1A1 94/4885RECQL 4066/4885ATM 487/4885

“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.