SCHEMBL3330344

SCHEMBL3330344

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
APAF1 O14727 1/20 0.45
TDP2 O95551 1/20 0.45
NSD2 O96028 1/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CYP2D6 P10635 1/20 0.45
THRB P10828 1/20 0.45
CYP2C9 P11712 1/20 0.45
CASP1 P29466 1/20 0.45
CYP2C19 P33261 1/20 0.45
CASP3 P42574 1/20 0.45
GALK1 P51570 1/20 0.45
BLM P54132 1/20 0.45
ATM Q13315 1/20 0.45
HIF1A Q16665 1/20 0.45
SENP8 Q96LD8 1/20 0.45

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
SCHEMBL3333146 0.77 CES1 (0.48) CES1CSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL3338271 0.68 CES1 (0.44) HIF1ACES1PARP1HTR1A
SCHEMBL16939655 0.67 CES1 (0.62) TDP2NSD2HIF1ACES1CDC25B
SCHEMBL29749956 0.65 CES1 (0.55) MAPTKDM4EMEN1KMT2APOLB
SCHEMBL57012 0.65 CES1 (0.55) MAPTKDM4EMEN1KMT2APOLB
SCHEMBL29505881 0.65 CES1 (0.55) MAPTKDM4EMEN1KMT2APOLB
Water SCHEMBL11224287 0.64 CES1 (0.54) MAPTKDM4EMEN1KMT2APOLB
SCHEMBL3331383 0.63 IDO1 (0.47) MAPTKDM4EMEN1KMT2AAPAF1
SCHEMBL17286659 0.62 MAPT (1.00) MAPTKDM4EMEN1KMT2AAPAF1
SCHEMBL16939656 0.62 CES1 (0.55) MEN1KMT2ACES1CDC25BPARP1

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 MAPT 1685/4885KDM4E 3921/4885MEN1 620/4885

“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.