SCHEMBL3626320

SCHEMBL3626320

CCOC(=O)c1cc2ccc(Oc3ccccc3)cc2o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.58
MAOB P27338 2/20 0.56
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 4/20 0.51
HPGD P15428 4/20 0.51
GLA P06280 3/20 0.51
GAA P10253 3/20 0.51
CA12 O43570 1/20 0.51
CA2 P00918 1/20 0.51
CA3 P07451 1/20 0.51
CA4 P22748 1/20 0.51
CA6 P23280 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
MAPT P10636 7/20 0.50
HSD17B10 Q99714 4/20 0.49
CASP1 P29466 2/20 0.49
CASP7 P55210 2/20 0.49
KMT2A Q03164 2/20 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
SCHEMBL744596 0.85 MAOB (0.76) MAOBKDM4EALDH1A1HPGDGLA
SCHEMBL177458 0.84 HPGD (0.70) MAOBKDM4EALDH1A1HPGDGLA
SCHEMBL29502855 0.81 MAPT (0.67) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL2775850 0.81 MAPT (0.67) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL18591925 0.81 CA12 (0.57) MAOBKDM4EALDH1A1HPGDGLA
SCHEMBL13740830 0.81 CA12 (0.57) MAOBKDM4EALDH1A1HPGDGLA
SCHEMBL2246104 0.79 MAPT (0.51) MAOBKDM4EALDH1A1HPGDGLA
SCHEMBL18001830 0.79 HSD11B1 (0.58) MAOBKDM4EALDH1A1HPGDGLA
SCHEMBL742193 0.78 MIF (0.68) MAOBKDM4EALDH1A1HPGDGLA
SCHEMBL28367859 0.78 CYP1A2 (0.50) MAOBKDM4EALDH1A1HPGDGLA

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 PTGS2 3396/4885MAOB 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.