SCHEMBL1647666

SCHEMBL1647666

O=C(CCc1c(O)c2ccccc2oc1=O)OC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.52
TP53 P04637 4/20 0.52
ALDH1A1 P00352 4/20 0.52
TSHR P16473 3/20 0.52
MAPK1 P28482 3/20 0.52
HPGD P15428 3/20 0.52
KDM4E B2RXH2 2/20 0.52
HSD17B10 Q99714 1/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
NQO1 P15559 2/20 0.51
ABCB11 O95342 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
PDE4D Q08499 1/20 0.51
PCSK7 Q16549 1/20 0.51
GPR35 Q9HC97 1/20 0.51
HTT P42858 2/20 0.51

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
SCHEMBL27668941 0.92 ALDH1A1 (0.49) LMNATP53ALDH1A1TSHRMAPK1
SCHEMBL8945571 0.81 LMNA (0.53) LMNATP53ALDH1A1TSHRMAPK1
SCHEMBL1647996 0.77 ALDH1A1 (0.61) LMNATP53ALDH1A1TSHRMAPK1
SCHEMBL1649087 0.76 NQO1 (0.67) LMNATP53ALDH1A1TSHRMAPK1
SCHEMBL14010995 0.76 NQO1 (0.52) LMNATP53ALDH1A1TSHRMAPK1
SCHEMBL8945660 0.75 LMNA (0.59) LMNATP53ALDH1A1TSHRMAPK1
SCHEMBL9209760 0.74 LMNA (0.53) LMNATP53ALDH1A1TSHRMAPK1
SCHEMBL28040680 0.73 CYP19A1 (0.46) LMNAALDH1A1HPGDKDM4EHSD17B10
SCHEMBL8945430 0.73 NPC1 (0.62) LMNATP53ALDH1A1TSHRMAPK1
SCHEMBL27448033 0.71 ALDH1A1 (0.56) LMNATP53ALDH1A1TSHRMAPK1

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 13 patents. 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
CN-1950353-B Materials and methods for treating coagulation disorders ARYX THERAPEUTICS 2011-06-01 CN 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
EP-1735296-B1 MATERIALS AND METHODS FOR TREATING COAGULATION DISORDERS ARYX THERAPEUTICS (US) 2009-12-09 EP disclosed
US-20090082430-A1 Materials and Methods for Treating Coagulation Disorders ARYX THERAPEUTICS, INC. (US) 2009-03-26 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
CN-1950353-A Materials and methods for treating coagulation disorders ARYX THERAPEUTICS (US) 2007-04-18 CN disclosed
US-20060287388-A1 Materials and Methods for Treating Coagulation Disorders ARYX THERAPEUTICS (US) 2006-12-21 US disclosed
US-20050245603-A1 Materials and methods for treating coagulation disorders ESPERO BIOPHARMA, INC. 2005-11-03 US 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 (4 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 LMNA 171/4885TP53 2426/4885ALDH1A1 992/4885
US-20060287388-A1 Materials and Methods for Treating Coagulation Disorders F12, F2, SERPINC1 LMNA 171/4885TP53 2426/4885ALDH1A1 992/4885
US-20080027132-A1 Materials and Methods For Treating Coagulation Disorders F12, F2, SERPINC1 LMNA 171/4885TP53 2426/4885ALDH1A1 992/4885
US-20090082430-A1 Materials and Methods for Treating Coagulation Disorders F12, F2, SERPINC1 LMNA 171/4885TP53 2426/4885ALDH1A1 992/4885

“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.