SCHEMBL5103349

SCHEMBL5103349

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.62
▸ ALDH1A1 P00352 2/20 0.58
▸ NQO1 P15559 5/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ CYP2C9 P11712 2/20 0.55
▸ ABCB11 O95342 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ PDE4D Q08499 1/20 0.55
▸ PCSK7 Q16549 1/20 0.55
▸ GPR35 Q9HC97 1/20 0.55
▸ VKORC1 Q9BQB6 3/20 0.53
▸ KDM4E B2RXH2 1/20 0.49
▸ POLB P06746 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
SCHEMBL5113026 0.91 NQO1 (0.52) ADORA3ALDH1A1NQO1MEN1KMT2A
SCHEMBL5106166 0.90 NQO1 (0.58) ADORA3ALDH1A1NQO1MEN1KMT2A
SCHEMBL1649931 0.90 ADORA3 (0.59) ADORA3ALDH1A1NQO1MEN1KMT2A
SCHEMBL6825211 0.89 ADORA3 (0.56) ADORA3ALDH1A1NQO1MEN1KMT2A
SCHEMBL5106585 0.89 NQO1 (0.50) ADORA3ALDH1A1NQO1MEN1KMT2A
SCHEMBL6825774 0.87 ADORA3 (0.49) ADORA3ALDH1A1NQO1MEN1KMT2A
SCHEMBL5107449 0.86 NQO1 (0.58) ADORA3ALDH1A1NQO1MEN1KMT2A
SCHEMBL6825738 0.81 ADORA3 (0.50) ADORA3ALDH1A1NQO1MEN1KMT2A
SCHEMBL5106631 0.81 NQO1 (0.54) ADORA3ALDH1A1NQO1MEN1KMT2A
SCHEMBL5112817 0.79 NQO1 (0.52) ADORA3ALDH1A1NQO1MEN1KMT2A

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 8 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-7145020-B2 Materials and methods for treating coagulation disorders ARYX THERAPEUTICS (US) 2006-12-05 — — 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 ADORA3 2300/4885ALDH1A1 289/4885NQO1 249/4885
US-20080221204-A1 Materials and Methods for Treating Coagulation Disorders CES1, F2, CYP3A5 ADORA3 2300/4885ALDH1A1 289/4885NQO1 249/4885
US-20070129429-A1 Materials And Methods For Treating Coagulation Disorders CES1, F2, CYP3A5 ADORA3 2300/4885ALDH1A1 289/4885NQO1 249/4885
US-20040220258-A1 Materials and methods for treating coagulation disorders CES1, F2, CYP3A5 ADORA3 2300/4885ALDH1A1 289/4885NQO1 249/4885

“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.

Send feedback