Sugi Predict

Sugi Predict / Compounds / SCHEMBL16227337

SCHEMBL16227337

SCHEMBL16227337

COc1cc(OC)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 8/20 0.83
▸ ALDH1A1 P00352 4/20 0.83
▸ MAPT P10636 3/20 0.83
▸ ALOX15 P16050 2/20 0.83
▸ KDM4E B2RXH2 2/20 0.83
▸ GLA P06280 1/20 0.83
▸ HPGD P15428 1/20 0.83
▸ CYP3A4 P08684 3/20 0.71
▸ CYP1A2 P05177 2/20 0.71
▸ ACLY P53396 7/20 0.60
▸ PIM1 P11309 2/20 0.58
▸ EPHX2 P34913 2/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ TSHR P16473 2/20 0.58
▸ MAPK1 P28482 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ TDP1 Q9NUW8 2/20 0.58
▸ AKR1B1 P15121 2/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ PTP4A3 O75365 1/20 0.58

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
SCHEMBL16226368 0.94 ELANE (0.83) ELANEALDH1A1MAPTALOX15KDM4E
Physcion SCHEMBL30425832 0.91 ELANE (1.00) ELANEALDH1A1MAPTALOX15KDM4E
Physcion SCHEMBL486155 0.91 ELANE (1.00) ELANEALDH1A1MAPTALOX15KDM4E
Physcion SCHEMBL29404320 0.91 ELANE (1.00) ELANEALDH1A1MAPTALOX15KDM4E
SCHEMBL16226869 0.91 ALDH1A1 (0.80) ELANEALDH1A1MAPTALOX15KDM4E
SCHEMBL9878243 0.89 ALDH1A1 (0.83) ELANEALDH1A1MAPTALOX15KDM4E
SCHEMBL23199006 0.87 ALDH1A1 (0.73) ELANEALDH1A1MAPTALOX15KDM4E
Questin SCHEMBL15676283 0.87 ELANE (0.73) ELANEALDH1A1MAPTALOX15KDM4E
Questin SCHEMBL29359576 0.87 ELANE (0.73) ELANEALDH1A1MAPTALOX15KDM4E
SCHEMBL30140513 0.86 ELANE (0.90) ELANEALDH1A1MAPTALOX15KDM4E

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
US-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 — — US disclosed
CN-102304091-B Emodin and fluorouracil combined compound having antitumor activity and preparation method thereof UNIV XUZHOU NORMAL 2013-06-05 — — CN disclosed
CN-102304091-A Emodin and fluorouracil combined compound having antitumor activity and preparation method thereof UNIV XUZHOU NORMAL 2012-01-04 — — CN disclosed
CN-1321105-C Derivative in hydroxy anthraquinones category and application UNIV ZHONGSHAN (CN) 2007-06-13 — — CN disclosed
CN-1727327-A Derivative in hydroxy anthraquinones category and application UNIV ZHONGSHAN (CN) 2006-02-01 — — CN disclosed
CN-1233612-C Hydroxy anthraquinone derivatives and application thereof in preparation of anti-cancer drugs UNIV SUN YAT SEN (CN) 2005-12-28 — — CN disclosed
CN-1546451-A Hydroxy anthraquinone derivatives and application thereof in preparation of anti-cancer drugs 中山大学 2004-11-17 — — CN 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-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER IL2RA, CD74, IL2 ELANE 2550/4885ALDH1A1 1004/4885MAPT 3619/4885

“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.