SCHEMBL2399209

SCHEMBL2399209

CC(=O)Oc1ccc(C2Oc3cc(OC(C)=O)ccc3CC2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.45
CA5A P35218 2/20 0.45
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 3/20 0.41
GLA P06280 3/20 0.41
GAA P10253 2/20 0.41
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 1/20 0.39
GSTP1 P09211 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL28912178 0.94 CA2 (0.43) CA2CA5AALDH1A1MAPTLMNA
SCHEMBL11636347 0.93 MAPT (0.45) CA2CA5AALDH1A1MAPTLMNA
SCHEMBL11050278 0.81 ALDH1A1 (0.52) ALDH1A1MAPTLMNAMEN1HTT
SCHEMBL28710319 0.80 CYP19A1 (0.53) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL7604112 0.79 KMT2A (0.53) ALDH1A1MAPTMEN1USP2KMT2A
SCHEMBL28629173 0.77 MAPT (0.44) CA2ALDH1A1MAPTLMNAKDM4E
SCHEMBL131516 0.76 CYP19A1 (0.52) ALDH1A1MAPTLMNAKDM4ENPSR1
SCHEMBL2180253 0.74 CA2 (0.45) CA2CA5AALDH1A1MAPTLMNA
SCHEMBL16151163 0.74 CYP3A4 (0.48) CA2CA5AALDH1A1MAPTLMNA
SCHEMBL28625919 0.74 HSD17B1 (0.46) ALDH1A1MAPTLMNAKDM4ECYP3A4

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 5 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

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 CA2 3372/4885CA5A 909/4885ALDH1A1 609/4885

“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.