SCHEMBL3333146

SCHEMBL3333146

CC(C)=CCOC1=CC(=O)c2ccc3c(c2C1=O)CCCC3

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES1 P23141 7/20 0.48
PARP1 P09874 1/20 0.35
CSNK2A2 P19784 2/20 0.34
CSNK2B P67870 2/20 0.34
CSNK2A1 P68400 2/20 0.34
ABCG2 Q9UNQ0 2/20 0.34
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
CYP19A1 P11511 2/20 0.31
HTR1A P08908 1/20 0.31

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
SCHEMBL3331383 0.84 IDO1 (0.47) CES1
SCHEMBL3332116 0.84 CES1 (0.48) CES1PARP1ADRA2AADRA2BADRA2C
SCHEMBL3330344 0.77 MAPT (0.45) CES1PARP1CSNK2A2CSNK2BCSNK2A1
SCHEMBL974933 0.72 CDC25B (0.54)
SCHEMBL3328958 0.71 CES1 (0.59) CES1PARP1CYP19A1
SCHEMBL3335438 0.70 HIF1A (0.48) CES1
SCHEMBL14399370 0.68 CYP19A1 (0.46) CYP19A1
SCHEMBL16939655 0.65 CES1 (0.62) CES1PARP1CYP19A1
SCHEMBL3328913 0.60 ERBB2 (0.47)
SCHEMBL16939656 0.60 CES1 (0.55) CES1PARP1CYP19A1

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 2 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

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 CES1 131/4885PARP1 2487/4885CSNK2A2 3400/4885

“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.