SCHEMBL14690823

SCHEMBL14690823

O=C1CC(c2ccc(OCc3cccc(O)c3)c(OCc3ccccc3)c2)Oc2ncccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 6/20 0.42
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ AR P10275 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ PSMB5 P28074 1/20 0.40
▸ PTPN1 P18031 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ESR2 Q92731 2/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ TUBB4A P04350 1/20 0.36
▸ TUBB P07437 1/20 0.36

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
SCHEMBL16048625 0.75 PDE4A (0.41) CYP19A1PDE4APDE4BPDE4CPDE4D
SCHEMBL8063014 0.71 PDE4A (0.54) CYP19A1PDE4APDE4BPDE4CPDE4D
SCHEMBL17708872 0.69 ALDH1A1 (0.46) CYP19A1MAOBNPC1MAPTRAB9A
SCHEMBL4358165 0.68 AR (0.68) CYP19A1ARMAOAMAOBPSMB5
SCHEMBL4370495 0.67 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DMAPT
3'-Hydroxyflavanone SCHEMBL5929195 0.65 CYP19A1 (0.79) CYP19A1ARMAOAMAOBPSMB5
3'-Hydroxyflavanone SCHEMBL5088596 0.65 CYP19A1 (0.79) CYP19A1ARMAOAMAOBPSMB5
3'-Hydroxyflavanone SCHEMBL15531909 0.65 CYP19A1 (0.79) CYP19A1ARMAOAMAOBPSMB5
3'-Hydroxyflavanone SCHEMBL29606797 0.65 CYP19A1 (0.79) CYP19A1ARMAOAMAOBPSMB5
SCHEMBL6357776 0.64 MRGPRX4 (0.53) NPC1CYP3A4MAPTMAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2742033-B1 FLAVONOID COMPOUNDS, AND METHODS OF USE THEREOF ARMARON BIO PTY LTD (AU) 2018-09-19 — — EP disclosed
US-20140275156-A1 FLAVONOID COMPOUNDS, AND METHODS OF USE THEREOF NEUPROTECT PTY LTD (AU) 2014-09-18 — — US disclosed
EP-2742033-A1 FLAVONOID COMPOUNDS, AND METHODS OF USE THEREOF Neuprotect PTY Ltd (AU) 2014-06-18 — — EP disclosed
WO-2013020184-A1 FLAVONOID COMPOUNDS, AND METHODS OF USE THEREOF NEUPROTECT PTY LTD (AU) 2013-02-14 — — 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 (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-20140275156-A1 FLAVONOID COMPOUNDS, AND METHODS OF USE THEREOF BAX, MAPKAPK2, MAPK6 CYP19A1 3123/4885PDE4A 3285/4885PDE4B 2723/4885

“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.

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