SCHEMBL4450673

SCHEMBL4450673

COC(=O)c1cc2ccc(OC)cc2o1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.67
CYP2D6 P10635 2/20 0.61
MAPT P10636 2/20 0.60
CASP3 P42574 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
CYP1A2 P05177 1/20 0.57
ALDH1A1 P00352 7/20 0.56
HPGD P15428 7/20 0.56
GAA P10253 3/20 0.56
MAOB P27338 2/20 0.56
SLC16A3 O15427 1/20 0.56
HSD17B10 Q99714 5/20 0.56
GLA P06280 2/20 0.56
CA2 P00918 3/20 0.55
CA12 O43570 3/20 0.54
CA9 Q16790 3/20 0.54
CA3 P07451 2/20 0.54
CA4 P22748 2/20 0.54
CA6 P23280 2/20 0.54

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
SCHEMBL446971 0.87 TAS1R3 (0.64) KDM4EMAPTCASP3SENP7TDP1
SCHEMBL1287537 0.85 ALDH1A1 (0.66) KDM4ECYP2D6MAPTCASP3SENP7
SCHEMBL31367874 0.85 CYP2D6 (0.59) KDM4ECYP2D6MAPTCASP3SENP7
SCHEMBL178096 0.85 ALDH1A1 (0.66) KDM4ECYP2D6MAPTCASP3SENP7
SCHEMBL177458 0.85 HPGD (0.70) KDM4ECYP2D6MAPTCASP3SENP7
SCHEMBL6240000 0.84 CYP2D6 (0.70) KDM4ECYP2D6MAPTALDH1A1HPGD
Hydrochloric Acid SCHEMBL11747973 0.84 ALDH1A1 (0.64) KDM4ECYP2D6MAPTCASP3SENP7
SCHEMBL9251599 0.84 CYP2D6 (0.58) KDM4ECYP2D6MAPTCASP3SENP7
SCHEMBL8223059 0.83 MAOA (0.67) KDM4ECYP2D6CYP1A2ALDH1A1HPGD
SCHEMBL1068608 0.82 FLT3 (0.67) KDM4EMAPTCASP3SENP7TDP1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014063199-A1 ORGANIC COMPOUNDS AKAAL PHARMA PTY LTD (AU) 2014-05-01 WO disclosed
US-7524882-B2 PPAR alpha selective compounds for the treatment of dyslipidemia and other lipid disorders MERCK & CO., INC. (US) 2009-04-28 US disclosed
US-7524882-B2 PPAR alpha selective compounds for the treatment of dyslipidemia and other lipid disorders MERCK & CO., INC. (US) 2009-04-28 US disclosed
US-7524882-B2 PPAR alpha selective compounds for the treatment of dyslipidemia and other lipid disorders MERCK & CO., INC. (US) 2009-04-28 US disclosed
EP-1539136-B1 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS MERCK & CO INC (US) 2008-07-09 EP disclosed
EP-1539136-B1 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS MERCK & CO INC (US) 2008-07-09 EP disclosed
EP-1539136-A4 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS MERCK & CO INC (US) 2006-10-18 EP disclosed
US-20050228044-A1 Ppar alpha selective compounds for the treatment of dyslipidemia and other lipid disorders MERCK SHARP & DOHME CORP. 2005-10-13 US disclosed
EP-1539136-A2 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS Merck & Co., Inc. (US) 2005-06-15 EP disclosed
US-20050113402-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors SUI ZHIHUA (US) 2005-05-26 US disclosed
EP-1296981-B1 SUBSTITUTED PYRROLOPYRIDINONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2004-10-06 EP disclosed
US-20040044021-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors SUI ZHIHUA (US) 2004-03-04 US disclosed
WO-2004010936-A2 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS MERCK & CO., INC. (US) 2004-02-05 WO disclosed
US-6635638-B2 Treatment of sexual dysfunction, cardiovascular system disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-10-21 US disclosed
EP-1296981-A2 SUBSTITUTED PYRROLOPYRIDINONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-04-02 EP disclosed
US-20020010183-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-01-24 US disclosed
WO-2001087882-A2 SUBSTITUTED PYRROLOPYRIDINONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-22 WO disclosed
EP-0733631-B1 Benzofuran derivates useful as hypoglycemic and hypolidemic agents TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-07-12 EP disclosed
US-5723479-A ANTILIPEMIC AGENTS AND ANTIGLYCEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-03 US disclosed
EP-0733631-A1 Benzofuran derivates useful as hypoglycemic and hypolidemic agents Takeda Chemical Industries, Ltd. (JP) 1996-09-25 EP 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 (4 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-20050113402-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B KDM4E 1469/4885CYP2D6 485/4885MAPT 3888/4885
US-20040044021-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B KDM4E 1486/4885CYP2D6 456/4885MAPT 3924/4885
US-20020010183-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B KDM4E 1486/4885CYP2D6 456/4885MAPT 3924/4885
US-20050228044-A1 Ppar alpha selective compounds for the treatment of dyslipidemia and other lipid disorders PPARD, PPARA, PPARG KDM4E 3008/4885CYP2D6 1244/4885MAPT 4125/4885

“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.