SCHEMBL3335457

SCHEMBL3335457

COC1=CC(=O)c2cc(C)c3ccccc3c2C1=O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 5/20 0.54
▸ CDC25A P30304 1/20 0.54
▸ CDC25B P30305 1/20 0.54
▸ PTPN1 P18031 1/20 0.46
▸ PDE4D Q08499 1/20 0.44
▸ HKDC1 Q2TB90 1/20 0.42
▸ GAPDH P04406 2/20 0.40
▸ P4HB P07237 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ TEK Q02763 1/20 0.37
▸ CES2 O00748 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ EPAS1 Q99814 1/20 0.37
▸ S100A4 P26447 1/20 0.37
▸ TDP2 O95551 1/20 0.36
▸ NSD2 O96028 1/20 0.36

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
SCHEMBL3331917 0.78 MAPT (0.41) IDO1CDC25ACDC25BHKDC1MAOA
SCHEMBL8583572 0.74 PDE4D (0.51) IDO1CDC25ACDC25BPTPN1PDE4D
SCHEMBL29985434 0.74 IDO1 (0.61) IDO1CDC25ACDC25BPTPN1PDE4D
SCHEMBL8580202 0.74 IDO1 (0.61) IDO1CDC25ACDC25BPTPN1PDE4D
SCHEMBL30004088 0.73 IDO1 (0.58) IDO1CDC25ACDC25BPTPN1PDE4D
SCHEMBL8582314 0.73 IDO1 (0.58) IDO1CDC25ACDC25BPTPN1PDE4D
2-Methoxy-1,4-Naphthoquinone SCHEMBL29401525 0.71 CDC25B (1.00) IDO1CDC25ACDC25BPTPN1HKDC1
2-Methoxy-1,4-Naphthoquinone SCHEMBL571061 0.71 CDC25B (1.00) IDO1CDC25ACDC25BPTPN1HKDC1
SCHEMBL29620270 0.71 IDO1 (0.43) IDO1CDC25ACDC25BPDE4DHKDC1
SCHEMBL8581251 0.70 IDO1 (0.48) IDO1CDC25ACDC25BPTPN1PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137175-B1 NOVEL PHENANTHRENEQUINONE-BASED COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME FOR THE TREATMENT OR PREVENTION OF DISEASE INVOLVING METABOLIC SYNDROME MAZENCE INC (KR) 2013-09-25 — — EP disclosed
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 IDO1 1279/4885CDC25A 1807/4885CDC25B 2099/4885

“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.

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