SCHEMBL1649873

SCHEMBL1649873

COC(=O)c1cc(Cc2c(O)c3ccccc3oc2=O)ccc1OC

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VKORC1 Q9BQB6 7/20 0.64
NQO1 P15559 9/20 0.60
LMNA P02545 2/20 0.54
MEN1 O00255 1/20 0.54
ABCB11 O95342 1/20 0.54
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
CYP2C19 P33261 1/20 0.54
KMT2A Q03164 1/20 0.54
PDE4D Q08499 1/20 0.54
PCSK7 Q16549 1/20 0.54
GPR35 Q9HC97 1/20 0.54
MAOB P27338 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL1648617 0.90 VKORC1 (0.65) VKORC1NQO1LMNAMEN1ABCB11
SCHEMBL3178578 0.90 NQO1 (0.56) VKORC1NQO1LMNAMEN1ABCB11
SCHEMBL1648184 0.82 VKORC1 (0.72) VKORC1NQO1LMNAMEN1ABCB11
SCHEMBL3177387 0.82 NQO1 (0.56) VKORC1NQO1LMNAMEN1ABCB11
SCHEMBL4959844 0.81 VKORC1 (0.70) VKORC1NQO1LMNAMEN1ABCB11
SCHEMBL1649133 0.80 NQO1 (0.62) VKORC1NQO1LMNAMEN1ABCB11
SCHEMBL1647985 0.79 NQO1 (0.58) VKORC1NQO1LMNAMEN1ABCB11
SCHEMBL3177583 0.76 VKORC1 (0.69) VKORC1NQO1LMNAMEN1ABCB11
SCHEMBL6927546 0.74 GAA (0.65) LMNAALDH1A1TSHRHPGD
SCHEMBL7354617 0.74 NQO1 (1.00) VKORC1NQO1LMNAMEN1ABCB11

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 5 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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090082430-A1 Materials and Methods for Treating Coagulation Disorders F12, F2, SERPINC1 VKORC1 38/4885NQO1 390/4885LMNA 171/4885

“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.