SCHEMBL2399205

SCHEMBL2399205

CC(=O)Oc1ccc([C@H]2CC(=O)c3cccc(OC(C)=O)c3O2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 3/20 0.50
PTPN1 P18031 1/20 0.48
MAOB P27338 7/20 0.48
NPC1 O15118 2/20 0.48
MAPT P10636 2/20 0.48
RAB9A P51151 2/20 0.48
ACHE P22303 1/20 0.45
ABCB1 P08183 1/20 0.44
AR P10275 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP19A1 P11511 3/20 0.43
CYP3A4 P08684 2/20 0.43
ADORA3 P0DMS8 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL11636342 0.91 CYP19A1 (0.50) SLC22A12PTPN1MAOBNPC1MAPT
SCHEMBL11050274 0.86 PTPN1 (0.51) PTPN1MAOBNPC1MAPTRAB9A
SCHEMBL7604105 0.78 CYP19A1 (0.49) SLC22A12MAOBNPC1MAPTRAB9A
SCHEMBL11641394 0.77 CYP3A4 (0.50) PTPN1NPC1MAPTRAB9AKDM4E
SCHEMBL2399200 0.77 MAOB (0.68) MAOBCYP19A1CYP3A4
SCHEMBL1242979 0.76 KDM4E (0.65) MAOBNPC1MAPTRAB9AABCB1
SCHEMBL6726363 0.74 BCHE (0.69) MAPTACHEABCG2KDM4ECYP19A1
SCHEMBL29477373 0.74 BCHE (0.69) MAPTACHEABCG2KDM4ECYP19A1
SCHEMBL6726368 0.74 BCHE (0.69) MAPTACHEABCG2KDM4ECYP19A1
SCHEMBL31022637 0.74 BCHE (0.69) MAPTACHEABCG2KDM4ECYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090130051-A1 Flavonoid Compounds and Uses Thereof HOWARD FLOREY INSTITUTE OF EXPERIMENTAL PHYSIOLOGY AND MEDICINE (AU) 2009-05-21 US claimed
EP-1856085-A1 FLAVONOID COMPOUNDS AND USES THEREOF Howard Florey Institute of Experimental Physiology and Medicine (AU) 2007-11-21 EP claimed
WO-2006094357-A1 FLAVONOID COMPOUNDS AND USES THEREOF HOWARD FLOREY INSTITUTE OF EXPERIMENTAL PHYSIOLOGY AND MEDICINE (AU) 2006-09-14 WO claimed
US-8017649-B2 Flavonoid compounds and uses thereof HOWARD FLOREY INSTITUTE OF EXPERIMENTAL PHYSIOLOGY AND MEDICINE (AU) 2011-09-13 US disclosed
US-20090130051-A1 Flavonoid Compounds and Uses Thereof HOWARD FLOREY INSTITUTE OF EXPERIMENTAL PHYSIOLOGY AND MEDICINE (AU) 2009-05-21 US disclosed
EP-1856085-A1 FLAVONOID COMPOUNDS AND USES THEREOF Howard Florey Institute of Experimental Physiology and Medicine (AU) 2007-11-21 EP disclosed
WO-2006094357-A1 FLAVONOID COMPOUNDS AND USES THEREOF HOWARD FLOREY INSTITUTE OF EXPERIMENTAL PHYSIOLOGY AND MEDICINE (AU) 2006-09-14 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-20090130051-A1 Flavonoid Compounds and Uses Thereof CAT, NQO1, GPX4 SLC22A12 823/4885PTPN1 4022/4885MAOB 109/4885

“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.