SCHEMBL3328913

SCHEMBL3328913

CC(C)=CCOC1=CC(=O)C=CC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.47
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 3/20 0.37
MTNR1A P48039 2/20 0.37
HPGD P15428 2/20 0.35
CYP3A4 P08684 2/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
NFE2L2 Q16236 1/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 1/20 0.34
CYP1B1 Q16678 2/20 0.33
PDE4B Q07343 2/20 0.33
LMNA P02545 1/20 0.33
ACHE P22303 1/20 0.33
ABCB1 P08183 1/20 0.33
BACE1 P56817 1/20 0.33

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
SCHEMBL939327 0.76 PTPRC (0.49) ERBB2MAOAMAOBALDH1A1KDM4E
SCHEMBL3155612 0.72 MAOA (0.53) ERBB2MAOAMAOBALDH1A1KDM4E
SCHEMBL1524084 0.72 ERBB2 (0.58) ERBB2MAOAMAOBALDH1A1KDM4E
SCHEMBL20087538 0.72 MAOA (0.57) ERBB2MAOAMAOBALDH1A1KDM4E
SCHEMBL5712771 0.69 ERBB2 (0.54) ERBB2MAOAMAOBALDH1A1KDM4E
SCHEMBL7901505 0.69 MAOA (0.50) ERBB2MAOAMAOBALDH1A1KDM4E
SCHEMBL974933 0.69 CDC25B (0.54) MAOAMAOBALDH1A1KDM4EHPGD
SCHEMBL7738225 0.68 ERBB2 (0.52) ERBB2MAOAMAOBKDM4EMAPK1
SCHEMBL8927448 0.68 ERBB2 (0.57) ERBB2MAOAMAOBALDH1A1KDM4E
SCHEMBL713259 0.68 PTGS1 (0.44) ERBB2MAOAMAOBALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404869-B2 Phenanthrenequinone-based compound and pharmaceutical composition containing the same for the treatment or prevention of disease involving metabolic syndrome MAZENCE INC. (KR) 2013-03-26 US disclosed
US-20100137422-A1 NOVEL PHENANTHRENEQUINONE-BASED COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME FOR THE TREATMENT OR PREVENTION OF DISEASE INVOLVING METABOLIC SYNDROME YUNGJIN PHARM. CO., LTD. (KR) 2010-06-03 US disclosed
EP-2137175-A1 NOVEL PHENANTHRENEQUINONE-BASED COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME FOR THE TREATMENT OR PREVENTION OF DISEASE INVOLVING METABOLIC SYNDROME Mazence Inc. (KR) 2009-12-30 EP disclosed
WO-2008133441-A1 NOVEL PHENANTHRENEQUINONE-BASED COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME FOR THE TREATMENT OR PREVENTION OF DISEASE INVOLVING METABOLIC SYNDROME MAZENCE INC. (KR) 2008-11-06 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-20100137422-A1 NOVEL PHENANTHRENEQUINONE-BASED COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME FOR THE TREATMENT OR PREVENTION OF DISEASE INVOLVING METABOLIC SYNDROME CYP27A1, CYP46A1, PCSK9 ERBB2 4500/4885MAOA 2754/4885MAOB 1846/4885

“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.