SCHEMBL1648706

SCHEMBL1648706

O=C(O)CCC1=COc2ccccc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.43
FFAR1 O14842 4/20 0.41
HTT P42858 2/20 0.38
MAPT P10636 3/20 0.37
POLB P06746 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
PKM P14618 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
HDAC3 O15379 1/20 0.37
MAPK1 P28482 1/20 0.37
ADRA1A P35348 1/20 0.37
HDAC4 P56524 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HDAC1 Q13547 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 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
SCHEMBL8665717 0.85 AKR1B1 (0.38) KEAP1HTTMAPTPOLBTDP1
SCHEMBL294572 0.78 MAOA (0.41) MAOAMAOB
SCHEMBL7977979 0.78 MAOA (0.43) MAOAMAOB
SCHEMBL511051 0.75 MAOA (0.38) MAOAMAOB
SCHEMBL293444 0.74 MAOA (0.37) MAOAMAOB
SCHEMBL4530544 0.74 MAOA (0.37) HTTALDH1A1MAOAMAOBCYP1A2
SCHEMBL295033 0.74 MAOA (0.43) MAOAMAOB
SCHEMBL295082 0.73 MAOA (0.36) MAOAMAOB
SCHEMBL16397646 0.73 MAOA (0.42) HTTALDH1A1HSD17B10MAOAMAOB
SCHEMBL212723 0.73 MAOA (0.42) HTTALDH1A1HSD17B10MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2161261-B1 Materials and methods for treating coagulation disorders ARMETHEON INC (US) 2013-08-28 EP disclosed
US-7932405-B2 Halogenated ester derivatives of coumarins for the treatment of coagulation disorders ARYX THERAPEUTICS, INC. (US) 2011-04-26 US disclosed
EP-2161261-A1 Materials and methods for treating coagulation disorders Aryx Therapeutics (US) 2010-03-10 EP disclosed
US-7666902-B2 1,1,1,3,3,3-hexachloro-2-methylpropan-2-yl 4-((4-hydroxy-2-oxo-2H-chromen-3-yl)methyl)benzoate; side effect reduction over warfarin ARYX THERAPEUTICS, INC. (US) 2010-02-23 US disclosed
US-20090082430-A1 Materials and Methods for Treating Coagulation Disorders ARYX THERAPEUTICS, INC. (US) 2009-03-26 US disclosed
US-20080221204-A1 Materials and Methods for Treating Coagulation Disorders DRUZGALA PASCAL 2008-09-11 US disclosed
US-20080027132-A1 Materials and Methods For Treating Coagulation Disorders ARYX THERAPEUTICS (US) 2008-01-31 US disclosed
US-7285671-B2 Materials and methods for treating coagulation disorders ARYX THERAPEUTICS (US) 2007-10-23 US disclosed
US-7253208-B2 Materials and methods for treating coagulation disorders ARYX THERAPEUTICS (US) 2007-08-07 US disclosed
US-20070129429-A1 Materials And Methods For Treating Coagulation Disorders ARYX THERAPEUTICS, INC. 2007-06-07 US disclosed
US-20060287388-A1 Materials and Methods for Treating Coagulation Disorders ARYX THERAPEUTICS (US) 2006-12-21 US disclosed
US-7145020-B2 Materials and methods for treating coagulation disorders ARYX THERAPEUTICS (US) 2006-12-05 US disclosed
US-20050245603-A1 Materials and methods for treating coagulation disorders ESPERO BIOPHARMA, INC. 2005-11-03 US disclosed
WO-2005100336-A1 MATERIALS AND METHODS FOR TREATING COAGULATION DISORDERS ARYX THERAPEUTICS (US) 2005-10-27 WO disclosed
US-6864279-B2 Materials and methods for treating coagulation disorders ARYX THERAPEUTICS (US) 2005-03-08 US disclosed
US-20040220258-A1 Materials and methods for treating coagulation disorders ESPERO BIOPHARMA, INC. 2004-11-04 US disclosed
CN-1520324-A Antiangiogenic combination thereapy for treatment of cancer 2004-08-11 CN disclosed
EP-1383756-A1 COUMARIN DERIVATIVES TO BE USED AS ANTICOAGULANTS Arxy Therapeutics (US) 2004-01-28 EP disclosed
US-20030199573-A1 Materials and methods for treating coagulation disorders ARYX THERAPEUTICS, INC. 2003-10-23 US disclosed
WO-2002085882-A1 COUMARIN DERIVATIVES TO BE USED AS ANTICOAGULANTS ARXY THERAPEUTICS (US) 2002-10-31 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 (8 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-20050245603-A1 Materials and methods for treating coagulation disorders F12, F2, SERPINC1 KEAP1 565/4885FFAR1 4049/4885HTT 3077/4885
US-20030199573-A1 Materials and methods for treating coagulation disorders CES1, F2, CYP3A5 KEAP1 418/4885FFAR1 3421/4885HTT 2924/4885
US-20060287388-A1 Materials and Methods for Treating Coagulation Disorders F12, F2, SERPINC1 KEAP1 565/4885FFAR1 4049/4885HTT 3077/4885
US-20080221204-A1 Materials and Methods for Treating Coagulation Disorders CES1, F2, CYP3A5 KEAP1 418/4885FFAR1 3421/4885HTT 2924/4885
US-20080027132-A1 Materials and Methods For Treating Coagulation Disorders F12, F2, SERPINC1 KEAP1 565/4885FFAR1 4049/4885HTT 3077/4885
US-20090082430-A1 Materials and Methods for Treating Coagulation Disorders F12, F2, SERPINC1 KEAP1 565/4885FFAR1 4049/4885HTT 3077/4885
US-20070129429-A1 Materials And Methods For Treating Coagulation Disorders CES1, F2, CYP3A5 KEAP1 418/4885FFAR1 3421/4885HTT 2924/4885
US-20040220258-A1 Materials and methods for treating coagulation disorders CES1, F2, CYP3A5 KEAP1 418/4885FFAR1 3421/4885HTT 2924/4885

“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.