SCHEMBL3328958

SCHEMBL3328958

O=C1C=C(O)C(=O)c2c1ccc1c2CCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 7/20 0.59
PARP1 P09874 1/20 0.45
BCL2L1 Q07817 1/20 0.37
BAD Q92934 1/20 0.37
CYP19A1 P11511 1/20 0.36
NQO1 P15559 1/20 0.35
CTRC Q99895 1/20 0.34
HIF1A Q16665 1/20 0.34
EPAS1 Q99814 1/20 0.34
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
POLB P06746 2/20 0.33
RECQL P46063 2/20 0.33
ATM Q13315 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PRKCI P41743 1/20 0.33
USP2 O75604 1/20 0.33
KMT2A Q03164 1/20 0.33
CTDSP1 Q9GZU7 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
SCHEMBL16939655 0.77 CES1 (0.62) CES1PARP1BCL2L1BADCYP19A1
SCHEMBL29505881 0.71 CES1 (0.55) CES1PARP1KDM4EMAPTPOLB
SCHEMBL29749956 0.71 CES1 (0.55) CES1PARP1KDM4EMAPTPOLB
SCHEMBL57012 0.71 CES1 (0.55) CES1PARP1KDM4EMAPTPOLB
SCHEMBL16939656 0.71 CES1 (0.55) CES1PARP1CYP19A1NQO1KMT2A
SCHEMBL3333146 0.71 CES1 (0.48) CES1PARP1CYP19A1
SCHEMBL3332116 0.71 CES1 (0.48) CES1PARP1CYP19A1
Water SCHEMBL11224287 0.70 CES1 (0.54) CES1PARP1KDM4EMAPTPOLB
SCHEMBL1284960 0.68 BCL2L1 (0.58) CES1PARP1BCL2L1BADNQO1
SCHEMBL4253719 0.67 MALT1 (0.40) CES1NQO1HIF1AKDM4EMAPT

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 CES1 131/4885PARP1 2487/4885BCL2L1 2733/4885

“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.