SCHEMBL3332521

SCHEMBL3332521

CC(C)=CCC1=C(O)C(=O)c2c(cc(C)c3ccccc23)C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 4/20 0.53
▸ MAPT P10636 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ CDC25A P30304 1/20 0.53
▸ CDC25B P30305 1/20 0.53
▸ RPS6KA3 P51812 1/20 0.53
▸ GLO1 Q04760 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ GPR35 Q9HC97 1/20 0.53
▸ APAF1 O14727 1/20 0.41
▸ TDP2 O95551 1/20 0.41
▸ NSD2 O96028 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ POLB P06746 1/20 0.41

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
SCHEMBL3331894 0.86 MEN1 (0.40) DHODHMAPTKDM4EMEN1KMT2A
Lapachol SCHEMBL31492698 0.77 DHODH (0.79) DHODHMAPTKDM4EMEN1KMT2A
Lapachol SCHEMBL157255 0.77 DHODH (0.79) DHODHMAPTKDM4EMEN1KMT2A
Lapachol SCHEMBL18769814 0.76 DHODH (0.77) DHODHMAPTKDM4EMEN1KMT2A
Lapachol SCHEMBL3274147 0.76 DHODH (0.77) DHODHMAPTKDM4EMEN1KMT2A
Lapachol SCHEMBL18037006 0.71 DHODH (0.68) DHODHMAPTKDM4EMEN1KMT2A
SCHEMBL24349487 0.71 DHODH (0.56) DHODHMAPTKDM4EMEN1KMT2A
Lapachol SCHEMBL7362189 0.70 MAPT (0.67) DHODHMAPTKDM4EMEN1KMT2A
SCHEMBL157256 0.70 DHODH (1.00) DHODHMAPTKDM4EMEN1KMT2A
SCHEMBL20811074 0.70 DHODH (0.70) DHODHMAPTKDM4EMEN1KMT2A

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 5 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
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 DHODH 604/4885MAPT 1685/4885KDM4E 3921/4885

“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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