SCHEMBL679428

SCHEMBL679428

COc1cc(OC)c(C(C)=O)c(O)c1OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.68
USP2 O75604 1/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
LMNA P02545 1/20 0.50
MAPT P10636 3/20 0.47
KCNA3 P22001 1/20 0.45
TPMT P51580 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTT P42858 2/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
GAA P10253 1/20 0.43
ABCB1 P08183 1/20 0.43
CA12 O43570 2/20 0.41

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
SCHEMBL9752762 0.88 CYP3A4 (0.78) CYP3A4USP2MAPK1SMN1; SMN2LMNA
SCHEMBL684391 0.85 CYP3A4 (0.64) CYP3A4USP2MAPK1SMN1; SMN2LMNA
SCHEMBL11321057 0.85 CYP3A4 (0.54) CYP3A4USP2MAPK1SMN1; SMN2LMNA
SCHEMBL4608589 0.84 CYP3A4 (0.56) CYP3A4USP2MAPK1SMN1; SMN2LMNA
SCHEMBL10498389 0.84 CYP3A4 (0.55) CYP3A4USP2MAPK1SMN1; SMN2LMNA
SCHEMBL9752827 0.84 CYP3A4 (0.60) CYP3A4USP2MAPK1SMN1; SMN2LMNA
SCHEMBL13601793 0.81 CYP3A4 (1.00) CYP3A4USP2MAPK1SMN1; SMN2LMNA
SCHEMBL27497325 0.79 MAPT (0.64) CYP3A4MAPTTPMTTDP1GRIN2D
SCHEMBL9752687 0.78 CYP3A4 (0.65) CYP3A4USP2MAPK1SMN1; SMN2LMNA
SCHEMBL29612139 0.77 CYP3A4 (0.58) CYP3A4USP2MAPK1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2984072-B1 SYNTHETIC ANALOGUES OF XANTHOHUMOL UNIV PISA (IT) 2024-05-29 EP disclosed
WO-2023127291-A1 METHOD FOR PRODUCING DEMETHYLNOBILETIN 花王株式会社 2023-07-06 WO disclosed
WO-2023127291-A1 METHOD FOR PRODUCING DEMETHYLNOBILETIN 花王株式会社 2023-07-06 WO disclosed
WO-2023287249-A1 METHOD FOR PRODUCING GOSSYPETIN 주식회사 노브메타파마 2023-01-19 WO disclosed
US-9617213-B2 Synthetic analogues of xanthohumol UNIVERSITA' DI PISA (IT) 2017-04-11 US disclosed
US-20160075652-A1 SYNTHETIC ANALOGUES OF XANTHOHUMOL AZIENDA OSPEDALIERA DI REGGIO EMILIA ARCISPEDALE S. MARIA NUOVA IRCCS (IT) 2016-03-17 US disclosed
EP-2311472-B1 COGNITIVE DISORDER-AMELIORATING AGENT JAPAN ROYAL JELLY CO LTD (JP) 2014-03-05 EP disclosed
US-20130129832-A1 COGNITIVE IMPAIRMENT AMELIORANT TOHOKU UNIVERSITY (JP) 2013-05-23 US disclosed
US-20130129832-A1 COGNITIVE IMPAIRMENT AMELIORANT TOHOKU UNIVERSITY (JP) 2013-05-23 US disclosed
US-20110287106-A1 COGNITIVE IMPAIRMENT AMELIORANT JAPAN ROYAL JELLEY CO., LTD. (JP) 2011-11-24 US disclosed
US-20110287106-A1 COGNITIVE IMPAIRMENT AMELIORANT JAPAN ROYAL JELLEY CO., LTD. (JP) 2011-11-24 US disclosed
EP-2311472-A1 COGNITIVE DISORDER-AMELIORATING AGENT Japan Royal Jelly Co., Ltd. (JP) 2011-04-20 EP disclosed
EP-2311472-A1 COGNITIVE DISORDER-AMELIORATING AGENT Japan Royal Jelly Co., Ltd. (JP) 2011-04-20 EP 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 (3 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-20160075652-A1 SYNTHETIC ANALOGUES OF XANTHOHUMOL XDH, XPA, NR1H3 CYP3A4 1728/4885USP2 3282/4885MAPK1 4437/4885
US-20130129832-A1 COGNITIVE IMPAIRMENT AMELIORANT CHAT, ACHE, PSEN1 CYP3A4 4098/4885USP2 2016/4885MAPK1 2783/4885
US-20110287106-A1 COGNITIVE IMPAIRMENT AMELIORANT CHAT, ACHE, PSEN1 CYP3A4 4098/4885USP2 2016/4885MAPK1 2783/4885

“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.