SCHEMBL3358528

SCHEMBL3358528

COc1cc(-c2coc3c(OC)c(OC)c(OC)cc3c2=O)cc(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 4/20 0.47
CYP3A4 P08684 2/20 0.47
MAPK1 P28482 2/20 0.47
RAB9A P51151 3/20 0.44
TP53 P04637 2/20 0.44
NPC1 O15118 2/20 0.44
HDAC6 Q9UBN7 1/20 0.44
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTPN1 P18031 1/20 0.44
PPARG P37231 1/20 0.44
KLK7 P49862 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
BCHE P06276 1/20 0.42
TUBB4A P04350 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
SCHEMBL571684 0.86 MAPT (0.54) ALDH1A1MEN1KMT2AMAPTCYP3A4
SCHEMBL29655341 0.83 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AMAPTCYP3A4
SCHEMBL29503832 0.78 MAPT (0.60) ALDH1A1MEN1KMT2AMAPTCYP3A4
Irigenin Trimethyl Ether SCHEMBL31018986 0.77 ABCB1 (0.57) ALDH1A1MEN1KMT2AMAPTCYP3A4
SCHEMBL28730377 0.76 MAPT (0.63) ALDH1A1MEN1KMT2AMAPTCYP3A4
SCHEMBL29550916 0.76 MAPT (0.63) ALDH1A1MEN1KMT2AMAPTCYP3A4
SCHEMBL24262856 0.75 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPTCYP3A4
SCHEMBL28442515 0.75 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AMAPTCYP3A4
SCHEMBL13904731 0.74 KDM4E (0.77) ALDH1A1MEN1KMT2AMAPTCYP3A4
SCHEMBL6338331 0.74 PTPN1 (0.67) ALDH1A1MEN1KMT2AMAPTCYP3A4

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
CN-111606881-B Synthesis method of 3',4',5',6,7, 8-hexahydroxy isoflavone and application thereof in antioxidation 中国人民解放军联勤保障部队第九〇四医院 2022-03-11 CN claimed
CN-111606881-B Synthesis method of 3',4',5',6,7, 8-hexahydroxy isoflavone and application thereof in antioxidation 中国人民解放军联勤保障部队第九〇四医院 2022-03-11 CN disclosed
CN-111606881-B Synthesis method of 3',4',5',6,7, 8-hexahydroxy isoflavone and application thereof in antioxidation 中国人民解放军联勤保障部队第九〇四医院 2022-03-11 CN disclosed
US-20140234271-A1 COMPOSITIONS FOR PROLIFERATION OF CELLS AND RELATED METHODS THE HOSPITAL FOR SICK CHILDREN (CA) 2014-08-21 US disclosed
US-8748177-B2 Compositions for proliferation of cells and related methods THE HOSPITAL FOR SICK CHILDREN (CA) 2014-06-10 US disclosed
US-20110301105-A1 COMPOSITIONS FOR PROLIFERATION OF CELLS AND RELATED METHODS THE HOSPITAL FOR SICK CHILDREN (CA) 2011-12-08 US disclosed
WO-2010039679-A1 COMPOSITIONS FOR PROLIFERATION OF CELLS AND RELATED METHODS THE HOSPITAL FOR SICK CHILDREN (CA) 2010-04-08 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 (2 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-20140234271-A1 COMPOSITIONS FOR PROLIFERATION OF CELLS AND RELATED METHODS MKI67, KRT18, PROX1 ALDH1A1 1070/4885MEN1 4189/4885KMT2A 2121/4885
US-20110301105-A1 COMPOSITIONS FOR PROLIFERATION OF CELLS AND RELATED METHODS MKI67, KRT18, PROX1 ALDH1A1 1070/4885MEN1 4189/4885KMT2A 2121/4885

“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.