SCHEMBL5084285

SCHEMBL5084285

COc1cc(O)cc2c1CC(=O)C(c1ccccc1)O2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.44
TP53 P04637 2/20 0.44
CYP3A4 P08684 2/20 0.44
XDH P47989 2/20 0.44
CYP1A1 P04798 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP1B1 Q16678 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PKM P14618 1/20 0.44
NPC1 O15118 1/20 0.44
CA12 O43570 1/20 0.44
KDM1A O60341 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CA4 P22748 1/20 0.44
DPP4 P27487 1/20 0.44

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
SCHEMBL773768 0.91 CYP19A1 (0.47) CYP19A1TP53CYP3A4XDHCYP1A1
SCHEMBL8063267 0.86 GSK3B (0.49) CYP19A1TP53CYP3A4XDHCYP1A1
SCHEMBL2879031 0.86 ABCG2 (0.53) CYP19A1CYP3A4HPGDALDH1A1MAPK1
SCHEMBL28464161 0.85 CYP1A1 (0.53) CYP19A1TP53CYP3A4XDHCYP1A1
SCHEMBL15573731 0.83 ABCG2 (0.56) CYP19A1CYP3A4MAPTHPGDNPC1
SCHEMBL1508796 0.83 MEN1 (0.49) CYP19A1CYP3A4CYP1A1CYP1A2CYP1B1
SCHEMBL3364490 0.82 ABCG2 (0.54) CYP19A1CYP3A4MAPTHPGDALDH1A1
SCHEMBL126042 0.82 NR3C1 (0.51) MAPTHPGDALDH1A1HSD17B10NR3C1
SCHEMBL5085611 0.81 CYP3A4 (0.49) CYP19A1TP53CYP3A4XDHCYP1A1
SCHEMBL10425234 0.81 KDM4E (0.46) CYP3A4XDHHPGDPKMNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115315195-B Hydroxy-and methoxy-substituted flavonoids and use thereof 弗门尼舍有限公司 2024-07-02 CN claimed
US-20240099344-A1 HYDROXY- AND METHOXY-SUBSTITUTED FLAVONOIDS AND THEIR USE FIRMENICH SA (CH) 2024-03-28 US claimed
CN-115315195-A Hydroxy-and methoxy-substituted flavonoids and their use 弗门尼舍有限公司 2022-11-08 CN claimed
CN-119912420-A Alpinetin derivative and preparation method, pharmaceutical composition and application thereof 首都医科大学附属北京世纪坛医院 2025-05-02 CN disclosed
CN-115315195-B Hydroxy-and methoxy-substituted flavonoids and use thereof 弗门尼舍有限公司 2024-07-02 CN disclosed
US-20240099344-A1 HYDROXY- AND METHOXY-SUBSTITUTED FLAVONOIDS AND THEIR USE FIRMENICH SA (CH) 2024-03-28 US disclosed
CN-117534644-A Preparation method of alpinetin 深圳创元生物医药科技有限公司 2024-02-09 CN disclosed
EP-4258900-A1 HYDROXY- AND METHOXY-SUBSTITUTED FLAVONOIDS AND THEIR USE Firmenich SA (CH) 2023-10-18 EP disclosed
CN-115315195-A Hydroxy-and methoxy-substituted flavonoids and their use 弗门尼舍有限公司 2022-11-08 CN disclosed
WO-2022189156-A1 HYDROXY- AND METHOXY-SUBSTITUTED FLAVONOIDS AND THEIR USE FIRMENICH SA (CH) 2022-09-15 WO disclosed
CN-105334174-A Method for determining content of main active components in Alpinia katsumadai by using ultraviolet spectrophotometry UNIV HAINAN NORMAL 2016-02-17 CN disclosed
WO-2007115181-A9 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEM CO (US) 2008-04-03 WO disclosed
US-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof EASTMAN CHEMICAL COMPANY 2007-11-01 US disclosed
WO-2007115181-A2 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEMICAL COMPANY (US) 2007-10-11 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-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof ABCC4, NCOA4, NR4A3 CYP19A1 214/4885TP53 3361/4885CYP3A4 17/4885

“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.