SCHEMBL4359940

SCHEMBL4359940

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.49
MEN1 O00255 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2D6 P10635 3/20 0.44
CYP2C19 P33261 3/20 0.44
KMT2A Q03164 3/20 0.44
HIF1A Q16665 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
NFKB1 P19838 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
DRD1 P21728 1/20 0.43
CYP2C9 P11712 1/20 0.43
LMNA P02545 2/20 0.42

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
SCHEMBL4953164 0.86 ALDH1A1 (0.51) CYP19A1MEN1CYP3A4KMT2AALDH1A1
SCHEMBL4367671 0.86 ESR1 (0.51) CYP19A1CYP3A4AR
SCHEMBL4362360 0.84 CA2 (0.46) CYP19A1MEN1CYP2C19KMT2AHIF1A
SCHEMBL4365834 0.82 AR (0.54) CYP19A1MEN1CYP3A4CYP2D6CYP2C19
SCHEMBL4366178 0.81 ESR1 (0.41) CYP19A1CYP3A4AR
SCHEMBL4362107 0.81 FFAR1 (0.42) CYP19A1AR
SCHEMBL4370738 0.81 FFAR1 (0.42) CYP19A1AR
SCHEMBL17708716 0.81 CYP19A1 (0.49) CYP19A1MEN1KMT2ASMN1; SMN2DRD1
SCHEMBL4359022 0.80 CYP19A1 (0.41) CYP19A1CYP3A4ALDH1A1AR
SCHEMBL4972000 0.80 CYP19A1 (0.54) CYP19A1MEN1KMT2ASMN1; SMN2DRD1

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 2036/4885MEN1 4334/4885CYP3A4 679/4885
US-20060241147-A1 Pyridine derivatives useful for inhibiting sodium/calcium exchange system SLC8B1, CACNA1A, MCU CYP19A1 2119/4885MEN1 1596/4885CYP3A4 655/4885

“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.