SCHEMBL3332517

SCHEMBL3332517

C=CC(C)(C)C1=C(O)C(=O)c2c(ccc3ccccc23)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNMT1 P26358 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ NSD2 O96028 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ HKDC1 Q2TB90 1/20 0.36
▸ HSP90AA1 P07900 4/20 0.35
▸ HSP90AB1 P08238 4/20 0.35
▸ SLC22A12 Q96S37 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.33
▸ HCRTR1 O43613 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ CDK4 P11802 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
SCHEMBL3333270 0.81 PTPN1 (0.33) MAPTCES1HIF1A
SCHEMBL939289 0.73 DNMT1 (0.46) DNMT1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL7122517 0.71 DNMT1 (0.73) DNMT1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL9900718 0.69 DNMT1 (0.70) DNMT1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL19230419 0.69 DNMT1 (0.83) DNMT1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL16144669 0.68 DNMT1 (0.68) DNMT1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL12236188 0.67 DNMT1 (0.67) DNMT1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL30362207 0.67 DNMT1 (0.67) DNMT1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL19230420 0.67 DNMT1 (0.73) DNMT1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL16144677 0.67 DNMT1 (0.80) DNMT1ALDH1A1MAPTRAB9ASMN1; SMN2

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 DNMT1 4516/4885ALDH1A1 863/4885MAPT 1685/4885

“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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