SCHEMBL1649087

SCHEMBL1649087

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 4/20 0.67
▸ ALDH1A1 P00352 4/20 0.67
▸ TSHR P16473 3/20 0.67
▸ LMNA P02545 2/20 0.67
▸ TP53 P04637 2/20 0.67
▸ MAPK1 P28482 2/20 0.67
▸ MEN1 O00255 2/20 0.67
▸ KMT2A Q03164 2/20 0.67
▸ ABCB11 O95342 1/20 0.67
▸ CYP1A2 P05177 1/20 0.67
▸ CYP3A4 P08684 1/20 0.67
▸ CYP2C9 P11712 1/20 0.67
▸ CYP2C19 P33261 1/20 0.67
▸ PDE4D Q08499 1/20 0.67
▸ PCSK7 Q16549 1/20 0.67
▸ GPR35 Q9HC97 1/20 0.67
▸ VKORC1 Q9BQB6 3/20 0.57
▸ NPC1 O15118 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL8945430 0.87 NPC1 (0.62) NQO1ALDH1A1TSHRLMNATP53
SCHEMBL1649906 0.86 NQO1 (0.75) NQO1ALDH1A1TSHRLMNATP53
SCHEMBL1649903 0.86 NQO1 (0.65) NQO1ALDH1A1TSHRLMNATP53
SCHEMBL10638322 0.86 NQO1 (0.73) NQO1ALDH1A1TSHRLMNATP53
SCHEMBL19474619 0.85 NQO1 (0.64) NQO1ALDH1A1TSHRLMNATP53
SCHEMBL8945469 0.85 NQO1 (0.49) NQO1ALDH1A1TSHRLMNATP53
SCHEMBL9545054 0.84 KDM4E (0.69) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL7354775 0.83 NQO1 (0.75) NQO1ALDH1A1TSHRLMNATP53
SCHEMBL27687938 0.82 NQO1 (0.71) NQO1ALDH1A1TSHRLMNATP53
SCHEMBL27448032 0.81 NQO1 (0.71) NQO1ALDH1A1TSHRLMNATP53

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 NQO1 390/4885ALDH1A1 992/4885TSHR 1493/4885
US-20060287388-A1 Materials and Methods for Treating Coagulation Disorders F12, F2, SERPINC1 NQO1 390/4885ALDH1A1 992/4885TSHR 1493/4885
US-20080027132-A1 Materials and Methods For Treating Coagulation Disorders F12, F2, SERPINC1 NQO1 390/4885ALDH1A1 992/4885TSHR 1493/4885
US-20090082430-A1 Materials and Methods for Treating Coagulation Disorders F12, F2, SERPINC1 NQO1 390/4885ALDH1A1 992/4885TSHR 1493/4885

“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.

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