SCHEMBL5113026

SCHEMBL5113026

CCCOC(=O)C(CC)Cc1c(O)c2ccccc2oc1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 4/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP2C9 P11712 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 2/20 0.52
ABCB11 O95342 1/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP2C19 P33261 1/20 0.52
PDE4D Q08499 1/20 0.52
PCSK7 Q16549 1/20 0.52
GPR35 Q9HC97 1/20 0.52
ADORA3 P0DMS8 1/20 0.51
VKORC1 Q9BQB6 2/20 0.49
HTT P42858 1/20 0.46
MAOB P27338 1/20 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
SCHEMBL5106585 0.93 NQO1 (0.50) NQO1ALDH1A1CYP2C9MEN1KMT2A
SCHEMBL5103349 0.91 ADORA3 (0.62) NQO1ALDH1A1CYP2C9MEN1KMT2A
SCHEMBL5106631 0.90 NQO1 (0.54) NQO1ALDH1A1CYP2C9MEN1KMT2A
SCHEMBL6825774 0.89 ADORA3 (0.49) NQO1ALDH1A1CYP2C9MEN1KMT2A
SCHEMBL5106166 0.88 NQO1 (0.58) NQO1ALDH1A1CYP2C9MEN1KMT2A
SCHEMBL5107449 0.84 NQO1 (0.58) NQO1ALDH1A1CYP2C9MEN1KMT2A
SCHEMBL6825738 0.84 ADORA3 (0.50) NQO1ALDH1A1CYP2C9MEN1KMT2A
SCHEMBL5112817 0.84 NQO1 (0.52) NQO1ALDH1A1CYP2C9MEN1KMT2A
SCHEMBL1649931 0.81 ADORA3 (0.59) NQO1ALDH1A1CYP2C9MEN1KMT2A
SCHEMBL6825211 0.80 ADORA3 (0.56) NQO1ALDH1A1CYP2C9MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221204-A1 Materials and Methods for Treating Coagulation Disorders DRUZGALA PASCAL 2008-09-11 US claimed
US-20080221204-A1 Materials and Methods for Treating Coagulation Disorders DRUZGALA PASCAL 2008-09-11 US disclosed
US-20070129429-A1 Materials And Methods For Treating Coagulation Disorders ARYX THERAPEUTICS, INC. 2007-06-07 US disclosed
US-7145020-B2 Materials and methods for treating coagulation disorders ARYX THERAPEUTICS (US) 2006-12-05 US 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
US-20030199573-A1 Materials and methods for treating coagulation disorders ARYX THERAPEUTICS, INC. 2003-10-23 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-20030199573-A1 Materials and methods for treating coagulation disorders CES1, F2, CYP3A5 NQO1 249/4885ALDH1A1 289/4885CYP2C9 24/4885
US-20080221204-A1 Materials and Methods for Treating Coagulation Disorders CES1, F2, CYP3A5 NQO1 249/4885ALDH1A1 289/4885CYP2C9 24/4885
US-20070129429-A1 Materials And Methods For Treating Coagulation Disorders CES1, F2, CYP3A5 NQO1 249/4885ALDH1A1 289/4885CYP2C9 24/4885
US-20040220258-A1 Materials and methods for treating coagulation disorders CES1, F2, CYP3A5 NQO1 249/4885ALDH1A1 289/4885CYP2C9 24/4885

“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.