SCHEMBL4362380

SCHEMBL4362380

O=C1CC(c2cccc(O)c2)Oc2ccc(O)cc21

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.81
CYP19A1 P11511 7/20 0.79
CYP3A4 P08684 2/20 0.67
MAOB P27338 2/20 0.63
MAOA P21397 1/20 0.63
PSMB5 P28074 1/20 0.63
ADORA3 P0DMS8 2/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
TUBB4A P04350 1/20 0.61
TUBB P07437 1/20 0.61
YES1 P07947 1/20 0.61
TUBA3C P0DPH7 1/20 0.61
TUBA1B P68363 1/20 0.61
TUBA4A P68366 1/20 0.61
TUBB4B P68371 1/20 0.61
TUBB3 Q13509 1/20 0.61
TUBB2A Q13885 1/20 0.61
TUBB8 Q3ZCM7 1/20 0.61
TUBA3E Q6PEY2 1/20 0.61

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
SCHEMBL4953726 1.00 AR (0.81) ARCYP19A1CYP3A4MAOBMAOA
SCHEMBL10362227 0.90 AR (1.00) ARCYP19A1CYP3A4MAOBMAOA
SCHEMBL126598 0.90 AR (1.00) ARCYP19A1CYP3A4MAOBMAOA
SCHEMBL4366347 0.89 AR (0.73) ARCYP19A1CYP3A4MAOBMAOA
SCHEMBL4374168 0.89 AR (0.73) ARCYP19A1CYP3A4MAOBMAOA
SCHEMBL4358992 0.89 AR (0.73) ARCYP19A1CYP3A4MAOBMAOA
SCHEMBL6848876 0.88 CYP19A1 (1.00) ARCYP19A1CYP3A4MAOBMAOA
3'-Hydroxyflavanone SCHEMBL15531909 0.88 CYP19A1 (0.79) ARCYP19A1CYP3A4MAOBMAOA
3'-Hydroxyflavanone SCHEMBL5088596 0.88 CYP19A1 (0.79) ARCYP19A1CYP3A4MAOBMAOA
3'-Hydroxyflavanone SCHEMBL5929195 0.88 CYP19A1 (0.79) ARCYP19A1CYP3A4MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040086983-A1 Method for producing a heterocyclic compound and an aromatic carboxylic acid having one or more hydroxyl groups, and modified aromatic ring dioxygenase MARINE BIOTHECHNOLOGY INSTITUTE., LTD. (JP) 2004-05-06 US claimed
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
US-20040086983-A1 Method for producing a heterocyclic compound and an aromatic carboxylic acid having one or more hydroxyl groups, and modified aromatic ring dioxygenase MARINE BIOTHECHNOLOGY INSTITUTE., LTD. (JP) 2004-05-06 US 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 AR 965/4885CYP19A1 2036/4885CYP3A4 679/4885
US-20060241147-A1 Pyridine derivatives useful for inhibiting sodium/calcium exchange system SLC8B1, CACNA1A, MCU AR 3262/4885CYP19A1 2119/4885CYP3A4 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.