SCHEMBL2398445

SCHEMBL2398445

O=C1c2ccc(O)cc2O[C@@H](c2ccccc2)[C@@H]1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 4/20 0.62
ESR1 P03372 4/20 0.62
CYP19A1 P11511 3/20 0.57
MAOA P21397 1/20 0.57
MAOB P27338 1/20 0.57
PSMB5 P28074 1/20 0.57
RET P07949 1/20 0.55
KDR P35968 1/20 0.55
IDO1 P14902 1/20 0.54
NSD2 O96028 1/20 0.54
TDO2 P48775 1/20 0.54
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
YES1 P07947 1/20 0.48
TUBA3C P0DPH7 1/20 0.48
TUBA1B P68363 1/20 0.48
TUBA4A P68366 1/20 0.48
TUBB4B P68371 1/20 0.48
TUBB3 Q13509 1/20 0.48
TUBB2A Q13885 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
SCHEMBL28180041 1.00 ESR2 (0.62) ESR2ESR1CYP19A1MAOAMAOB
Garbanzol SCHEMBL29370332 0.92 ESR1 (0.73) ESR2ESR1CYP19A1MAOAMAOB
Garbanzol SCHEMBL9663852 0.92 ESR1 (0.73) ESR2ESR1CYP19A1MAOAMAOB
Garbanzol SCHEMBL29929200 0.92 ESR1 (0.73) ESR2ESR1CYP19A1MAOAMAOB
Dihydrobinetin SCHEMBL18177341 0.85 SYNJ2 (0.64) ESR2ESR1CYP19A1RETKDR
Dihydrorobinetin SCHEMBL30799354 0.85 SYNJ2 (0.64) ESR2ESR1CYP19A1RETKDR
Dihydrobinetin SCHEMBL432880 0.85 SYNJ2 (0.64) ESR2ESR1CYP19A1RETKDR
Dihydrorobinetin SCHEMBL432879 0.85 SYNJ2 (0.64) ESR2ESR1CYP19A1RETKDR
Fustin SCHEMBL13583362 0.84 IDO1 (0.77) ESR2ESR1CYP19A1IDO1NSD2
Fustin SCHEMBL13640269 0.84 IDO1 (0.77) ESR2ESR1CYP19A1IDO1NSD2

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 ESR2 2310/4885ESR1 2185/4885CYP19A1 962/4885

“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.