SCHEMBL3619684

SCHEMBL3619684

CC#CCOc1ccc2cc(C(=O)OCC)oc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.56
MAOB P27338 8/20 0.50
KDM4E B2RXH2 3/20 0.50
GLA P06280 3/20 0.50
GAA P10253 3/20 0.50
HPGD P15428 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TP53 P04637 1/20 0.50
MAPK1 P28482 1/20 0.50
CA12 O43570 5/20 0.48
CA4 P22748 5/20 0.48
CA7 P43166 5/20 0.48
CA2 P00918 4/20 0.48
CA6 P23280 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
CA3 P07451 1/20 0.48
MTNR1A P48039 1/20 0.48

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
SCHEMBL13740830 0.83 CA12 (0.57) SLC2A1MAOBKDM4EGLAGAA
SCHEMBL18591925 0.83 CA12 (0.57) SLC2A1MAOBKDM4EGLAGAA
SCHEMBL177458 0.81 HPGD (0.70) SLC2A1MAOBKDM4EGLAGAA
SCHEMBL744596 0.80 MAOB (0.76) MAOBKDM4EGLAGAAHPGD
SCHEMBL28367859 0.78 CYP1A2 (0.50) MAOBKDM4EGLAGAAHPGD
SCHEMBL3626320 0.77 PTGS2 (0.58) MAOBKDM4EGLAGAAHPGD
SCHEMBL2246104 0.76 MAPT (0.51) MAOBKDM4EGLAGAAHPGD
SCHEMBL742193 0.75 MIF (0.68) MAOBKDM4EGLAGAAHPGD
SCHEMBL3621623 0.75 MTNR1A (0.48) MAOBGLACA12CA4CA7
SCHEMBL3621561 0.75 MTNR1A (0.48) MAOBGLACA12CA4CA7

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 SLC2A1 929/4885MAOB 710/4885KDM4E 2090/4885

“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.