SCHEMBL3333270

SCHEMBL3333270

C=CC(C)(C)C1=C(O)C(=O)c2c(cc(C)c3ccccc23)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.33
▸ HIF1A Q16665 2/20 0.31
▸ EPAS1 Q99814 2/20 0.31
▸ CES2 O00748 1/20 0.31
▸ KDM1A O60341 1/20 0.31
▸ EED O75530 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CES1 P23141 1/20 0.31
▸ PTPN6 P29350 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ PTPN11 Q06124 1/20 0.31
▸ SUZ12 Q15022 1/20 0.31
▸ EZH2 Q15910 1/20 0.31
▸ NSD1 Q96L73 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ DHODH Q02127 1/20 0.31
▸ ABCB1 P08183 2/20 0.31
▸ TTR P02766 1/20 0.30

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
SCHEMBL3332517 0.81 DNMT1 (0.44) HIF1AMAPTCES1
SCHEMBL4784189 0.77 APAF1 (0.50) CES2POLBMAPTCES1BLM
SCHEMBL3331894 0.75 MEN1 (0.40) HIF1AEPAS1CES2KDM1AEED
SCHEMBL29355977 0.70 DHODH (0.51) HIF1ACES2POLBMAPTCES1
SCHEMBL3332521 0.69 DHODH (0.53) PTPN1HIF1APOLBMAPTBLM
SCHEMBL3331917 0.66 MAPT (0.41) HIF1AEPAS1CES2KDM1AEED
SCHEMBL14439382 0.66 LCK (0.46) PTPN1MAPTABCB1
SCHEMBL8459098 0.61 MAPT (0.55) PTPN1HIF1APOLBMAPTBLM
SCHEMBL8446033 0.60 APEX1 (0.38) HIF1APOLBMAPTBLMTDP1
SCHEMBL29359488 0.60 APEX1 (0.38) HIF1APOLBMAPTBLMTDP1

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 PTPN1 2900/4885HIF1A 990/4885EPAS1 314/4885

“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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