SCHEMBL2052448

SCHEMBL2052448

CC(C)=CCc1cccc2oc3ccccc3c(=O)c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.58
VKORC1 Q9BQB6 2/20 0.55
MAOA P21397 6/20 0.54
CYP17A1 P05093 1/20 0.48
CYP19A1 P11511 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
XPO1 O14980 1/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
PGAM1 P18669 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NUDT1 P36639 2/20 0.46

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
SCHEMBL3130212 0.85 IKBKB (0.61) IKBKBVKORC1MAOACYP19A1KDM4E
SCHEMBL4452636 0.84 MGAM (0.60) IKBKBMAOACYP19A1PGAM1NUDT1
SCHEMBL28194247 0.81 MAOA (0.53) IKBKBMAOACYP17A1CYP19A1CYP11B1
SCHEMBL18242476 0.80 MAOA (0.59) MAOACYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL13359234 0.80 MAOA (0.64) MAOACYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL27726953 0.79 MAOA (0.55) MAOACYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL7651618 0.78 CYP3A4 (0.59) VKORC1MAOACYP19A1KDM4EALDH1A1
SCHEMBL26671345 0.78 MGAM (0.46) MAOACYP19A1XPO1KDM4EALDH1A1
SCHEMBL31571483 0.78 CYP3A4 (0.59) VKORC1MAOACYP19A1KDM4EALDH1A1
SCHEMBL24075575 0.77 NUDT1 (0.77) IKBKBVKORC1MAOACYP19A1KDM4E

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114796188-A Plant-derived flavone antibacterial compound and application thereof 朱奎 2022-07-29 CN claimed
CN-112569223-A Plant-derived flavone antibacterial compound and application thereof 朱奎 2021-03-30 CN claimed
CN-101550125-A Hazelnut element B, extracting method and pharmaceutical use thereof UNIV JILIN (CN) 2009-10-07 CN claimed
EP-1824442-A1 PHARMACEUTICAL AND THERAPEUTIC COMPOSITIONS DERIVED FROM GARCINIA MANGOSTANA L PLANT Renaissance Herbs, Inc. (US) 2007-08-29 EP claimed
WO-2007002666-A2 PHARMACEUTICAL AND THERAPEUTIC COMPOSTIONS DERIVED FROM GARCINIA MANGOSTANA L PLANT RENAISSANCE HERBS, INC. (US) 2007-01-04 WO claimed
US-20060292255-A1 Pharmaceutical and therapeutic compositions derived from Garcinia mangostana L plant RENAISSSANCE HERBS INC. 2006-12-28 US claimed
WO-2006055688-A1 PHARMACEUTICAL AND THERAPEUTIC COMPOSITIONS DERIVED FROM GARCINIA MANGOSTANA L PLANT RENAISSANCE HERBS, INC. (US) 2006-05-26 WO claimed
US-20060105069-A1 Pharmaceutical and therapeutic compositions derived from Garcinia mangostana L plant RENAISSANCE HERBS, INC. 2006-05-18 US claimed
US-20050118219-A1 Methods for improving the aesthetic appearance of skin CITIBANK, N.A., LONDON BRANCH 2005-06-02 US claimed
US-20030138467-A1 Methods for improving the aesthetic appearance of skin AVON PRODUCTS, INC. (US) 2003-07-24 US claimed
CN-119912472-A Isopentenyl xanthone compound, and preparation method and application thereof 湖北天勤生物技术研究院有限公司 2025-05-02 CN disclosed
CN-117064875-A Application of mangostin in preparation of drugs for preventing or treating amyotrophic lateral sclerosis 上海交通大学医学院 2023-11-17 CN disclosed
CN-111349397-B Pale rosin and rosin ester compositions 科腾聚合物有限责任公司 2023-09-12 CN disclosed
CN-113816936-B Mangostin derivative compound and preparation method and application thereof 广州长峰生物技术有限公司 2023-05-02 CN disclosed
CN-110799598-B Light-colored rosin ester composition and preparation method thereof 科腾聚合物有限责任公司 2022-03-29 CN disclosed
EP-1824442-A1 PHARMACEUTICAL AND THERAPEUTIC COMPOSITIONS DERIVED FROM GARCINIA MANGOSTANA L PLANT Renaissance Herbs, Inc. (US) 2007-08-29 EP disclosed
WO-2007002666-A2 PHARMACEUTICAL AND THERAPEUTIC COMPOSTIONS DERIVED FROM GARCINIA MANGOSTANA L PLANT RENAISSANCE HERBS, INC. (US) 2007-01-04 WO disclosed
US-20060292255-A1 Pharmaceutical and therapeutic compositions derived from Garcinia mangostana L plant RENAISSSANCE HERBS INC. 2006-12-28 US disclosed
WO-2006055688-A1 PHARMACEUTICAL AND THERAPEUTIC COMPOSITIONS DERIVED FROM GARCINIA MANGOSTANA L PLANT RENAISSANCE HERBS, INC. (US) 2006-05-26 WO disclosed
US-20060105069-A1 Pharmaceutical and therapeutic compositions derived from Garcinia mangostana L plant RENAISSANCE HERBS, INC. 2006-05-18 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 (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-20050118219-A1 Methods for improving the aesthetic appearance of skin CUTA, GLA, LRAT IKBKB 3064/4885VKORC1 2927/4885MAOA 48/4885
US-20030138467-A1 Methods for improving the aesthetic appearance of skin CUTA, GLA, LRAT IKBKB 3064/4885VKORC1 2927/4885MAOA 48/4885

“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.