SCHEMBL4366562

SCHEMBL4366562

COc1cccc(C2CC(=O)c3cc(O)ccc3O2)c1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.71
AR P10275 3/20 0.68
ABCG2 Q9UNQ0 2/20 0.67
ABCB1 P08183 1/20 0.67
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
MAOB P27338 3/20 0.57
CYP3A4 P08684 2/20 0.57
PTPN1 P18031 1/20 0.57
LMNA P02545 1/20 0.56
MAPT P10636 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
SCHEMBL17709139 0.90 CYP19A1 (0.82) CYP19A1MAOBCYP3A4PTPN1
SCHEMBL17709142 0.90 CYP19A1 (0.82) CYP19A1MAOBCYP3A4PTPN1
SCHEMBL30499387 0.90 ABCB1 (0.82) CYP19A1ARABCG2ABCB1NPC1
SCHEMBL29020378 0.90 ABCB1 (0.82) CYP19A1ARABCG2ABCB1NPC1
SCHEMBL17708871 0.88 AR (0.67) CYP19A1ARABCG2ABCB1NPC1
SCHEMBL1820849 0.88 AR (0.67) CYP19A1ARABCG2ABCB1NPC1
SCHEMBL4951516 0.88 CYP19A1 (0.73) CYP19A1ARABCG2ABCB1NPC1
SCHEMBL4953726 0.86 AR (0.81) CYP19A1ARABCG2ABCB1NPC1
SCHEMBL4362380 0.86 AR (0.81) CYP19A1ARABCG2ABCB1NPC1
SCHEMBL28186099 0.85 ABCB1 (0.67) CYP19A1ARABCG2ABCB1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482340-B2 Pyridine derivatives useful for inhibiting sodium/calcium exchange system ORION CORPORATION (FI) 2009-01-27 US disclosed
US-7425568-B2 Compounds, which are potent inhibitors of Na+ /Ca2+ exchange mechanism and are useful in the treatment of arrhythmias ORION CORPORATION (FI) 2008-09-16 US disclosed
US-20060241147-A1 Pyridine derivatives useful for inhibiting sodium/calcium exchange system ORION CORPORATION (FI) 2006-10-26 US disclosed
EP-1412343-B1 COMPOUNDS, WHICH ARE POTENT INHIBITORS OF NA+/CA2+ EXCHANGE MECHANISM AND ARE USEFUL IN THE TREATMENT OF ARRHYTHMIAS ORION CORP (FI) 2006-08-30 EP disclosed
EP-1583759-A1 PYRIDINE DERIVATIVES USEFUL FOR INHIBITING SODIUM/CALCIUM EXCHANGE SYSTEM ORION CORPORATION (FI) 2005-10-12 EP disclosed
US-20040235905-A1 Compounds, which are potent inhibitors of na+ / ca2+ exchange mechanism and are useful in the treatment of arrhythmias ORION CORPORATION (FI) 2004-11-25 US disclosed
WO-2004063191-A1 PYRIDINE DERIVATIVES USEFUL FOR INHIBITING SODIUM/CALCIUM EXCHANGE SYSTEM ORION CORPORATION (FI) 2004-07-29 WO disclosed
EP-1412343-A1 NEW COMPOUNDS, WHICH ARE POTENT INHIBITORS OF NA+/CA2+ EXCHANGE MECHANISM AND ARE USEFUL IN THE TREATMENT OF ARRHYTHMIAS ORION CORPORATION (FI) 2004-04-28 EP disclosed
WO-2003006452-A1 NEW COMPOUNDS, WHICH ARE POTENT INHIBITORS OF NA+/CA2+ EXCHANGE MECHANISM AND ARE USEFUL IN THE TREATMENT OF ARRHYTHMIAS ORION CORPORATION (FI) 2003-01-23 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-20040235905-A1 Compounds, which are potent inhibitors of na+ / ca2+ exchange mechanism and are useful in the treatment of arrhythmias CACNA1E, KCNN4, RYR2 CYP19A1 2036/4885AR 965/4885ABCG2 961/4885
US-20060241147-A1 Pyridine derivatives useful for inhibiting sodium/calcium exchange system SLC8B1, CACNA1A, MCU CYP19A1 2119/4885AR 3262/4885ABCG2 239/4885

“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.