SCHEMBL6028463

SCHEMBL6028463

CCOP(=O)(O)Cc1cc(O)cc(O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.44
POLB P06746 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
HSP90AB1 P08238 1/20 0.40
PTGS2 P35354 3/20 0.38
PGK1 P00558 1/20 0.38
PGK2 P07205 1/20 0.38
CYP3A4 P08684 1/20 0.38
ACHE P22303 1/20 0.37
HMGCR P04035 1/20 0.36
CETP P11597 3/20 0.36
EGFR P00533 1/20 0.35
PTPRB P23467 2/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35

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
SCHEMBL6045256 0.88 PPARD (0.50) PPARDPOLBPGK1PGK2HMGCR
SCHEMBL9549401 0.81 PPARD (0.41) PPARDPOLBCA1CA2PTGS2
SCHEMBL3396258 0.81 EGFR (0.43) PPARDPOLBCA12CA1CA2
SCHEMBL915441 0.81 PPARD (0.44) PPARDPOLBCA12CA1CA2
SCHEMBL17488978 0.79 PPARD (0.50) PPARDPOLBPGK1PGK2CETP
SCHEMBL18383706 0.79 POLB (0.39) PPARDPOLBCA12CA1CA2
SCHEMBL7046484 0.78 PPARD (0.41) PPARDPOLBPTGS2PGK1PGK2
Butane SCHEMBL27659367 0.78 POLB (0.41) PPARDPOLBCA12CA1CA2
SCHEMBL45804 0.78 HMGCR (0.62) POLBCA1CA2CYP3A4HMGCR
SCHEMBL915285 0.77 PTPN1 (0.50) PPARDPOLBCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670484-A1 NITRIC OXIDE DONATING DERIVATIVES FOR THE TREATMENT OF CARDIOVASCULAR DISORDERS RESVERLOGIX CORP. (CA) 2006-06-21 EP disclosed
US-20050080024-A1 Nitric oxide donating derivatives for the treatment of cardiovascular disorders RESVERLOGIX CORP. (CA) 2005-04-14 US disclosed
US-20050080021-A1 Nitric oxide donating derivatives of stilbenes, polyphenols and flavonoids for the treatment of cardiovascular disorders RESVERLOGIX CORP. (CA) 2005-04-14 US disclosed
WO-2005032559-A1 NITRIC OXIDE DONATING DERIVATIVES FOR THE TREATMENT OF CARDIOVASCULAR DISORDERS RESVERLOGIX CORP. (CA) 2005-04-14 WO 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 (2 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-20050080024-A1 Nitric oxide donating derivatives for the treatment of cardiovascular disorders NOS2, NOS3, NOS1 PPARD 406/4885POLB 2305/4885CA12 4757/4885
US-20050080021-A1 Nitric oxide donating derivatives of stilbenes, polyphenols and flavonoids for the treatment of cardiovascular disorders NOS2, NOS1, NOS3 PPARD 305/4885POLB 1934/4885CA12 4749/4885

“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.