SCHEMBL3617868

SCHEMBL3617868

OCc1cc2ccc(OCc3ccccc3)cc2o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.62
MAOA P21397 6/20 0.62
MEN1 O00255 1/20 0.62
NPC1 O15118 1/20 0.62
CA12 O43570 1/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
CA3 P07451 1/20 0.62
CA4 P22748 1/20 0.62
CA6 P23280 1/20 0.62
CA7 P43166 1/20 0.62
MTNR1A P48039 1/20 0.62
KMT2A Q03164 1/20 0.62
CA9 Q16790 1/20 0.62
CA14 Q9ULX7 1/20 0.62
SLC16A3 O15427 1/20 0.61
ALOX5 P09917 1/20 0.55
ACHE P22303 2/20 0.51
BCHE P06276 1/20 0.51
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL3615361 0.89 ALOX5 (0.55) MAOBMAOAMEN1NPC1CA12
SCHEMBL3624144 0.86 MAOB (0.62) MAOBMAOAMEN1NPC1CA12
SCHEMBL18678494 0.83 MAOB (0.59) MAOBMAOAMEN1NPC1CA12
SCHEMBL7121292 0.82 MAOB (0.52) MAOBMAOAMEN1NPC1CA12
SCHEMBL17338664 0.82 MAOB (0.61) MAOBMAOAMEN1NPC1CA12
SCHEMBL7121873 0.82 MAOB (0.58) MAOBMAOAMEN1NPC1CA12
SCHEMBL29066609 0.81 SLC16A3 (0.70) MAOBMAOAMEN1NPC1CA12
SCHEMBL3615496 0.81 LTA4H (0.47) MAOBMAOAMEN1NPC1CA12
SCHEMBL5866737 0.80 SLC16A3 (0.72) MAOBMAOAMEN1NPC1CA12
SCHEMBL28151748 0.79 MAOB (0.65) MAOBMAOAMEN1NPC1CA12

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-7829585-B2 Antifungal agent containing pyridine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-11-09 US disclosed
US-7829585-B2 Antifungal agent containing pyridine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-11-09 US disclosed
US-7829585-B2 Antifungal agent containing pyridine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-11-09 US disclosed
US-20090062348-A1 Antifungal Agent Containing Pyridine Derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-03-05 US disclosed
US-20090062348-A1 Antifungal Agent Containing Pyridine Derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-03-05 US disclosed
US-20090062348-A1 Antifungal Agent Containing Pyridine Derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-03-05 US disclosed
EP-1864980-A1 ANTIFUNGAL AGENT CONTAINING PYRIDINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2007-12-12 EP disclosed
EP-1864980-A1 ANTIFUNGAL AGENT CONTAINING PYRIDINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2007-12-12 EP 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 (1 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-20090062348-A1 Antifungal Agent Containing Pyridine Derivative ERG28, SQOR, CYP51A1 MAOB 710/4885MAOA 504/4885MEN1 2058/4885

“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.