SCHEMBL2743909

SCHEMBL2743909

COc1cc(C=CC(=O)C=Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.77
KDM4E B2RXH2 2/20 0.77
HPGD P15428 2/20 0.77
HTR1A P08908 2/20 0.77
GAA P10253 1/20 0.77
HTT P42858 1/20 0.77
HTR2C P28335 1/20 0.77
HSD17B10 Q99714 1/20 0.77
CYP1A2 P05177 3/20 0.73
CYP2D6 P10635 3/20 0.73
CYP3A4 P08684 1/20 0.73
CYP2C9 P11712 1/20 0.73
CYP2B6 P20813 1/20 0.73
TXNRD1 Q16881 1/20 0.70
TXNRD3 Q86VQ6 1/20 0.70
TXNRD2 Q9NNW7 1/20 0.70
ABCB1 P08183 1/20 0.64
ALOX5 P09917 2/20 0.63
NFKB1 P19838 2/20 0.63
STAT3 P40763 2/20 0.63

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
SCHEMBL2743907 1.00 ALDH1A1 (0.77) ALDH1A1KDM4EHPGDHTR1AGAA
SCHEMBL30179914 0.93 CYP1A2 (0.87) ALDH1A1KDM4EHPGDHTR1AGAA
SCHEMBL10468494 0.92 KDM4E (0.81) ALDH1A1KDM4EHPGDHTR1AGAA
SCHEMBL10468496 0.92 KDM4E (0.81) ALDH1A1KDM4EHPGDHTR1AGAA
SCHEMBL2744131 0.90 NFKB1 (0.68) ALDH1A1KDM4EHPGDHTR1AGAA
SCHEMBL2744128 0.90 NFKB1 (0.68) ALDH1A1KDM4EHPGDHTR1AGAA
SCHEMBL2743902 0.89 TUBB4A (0.73) ALDH1A1KDM4EHPGDHTR1AGAA
SCHEMBL2743899 0.89 TUBB4A (0.73) ALDH1A1KDM4EHPGDHTR1AGAA
SCHEMBL6106506 0.87 ALDH1A1 (0.74) ALDH1A1KDM4EHPGDHTR1AGAA
Sinapic Acid Methyl Ether SCHEMBL207442 0.87 KDM4E (1.00) ALDH1A1KDM4EHPGDHTR1AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152493-A1 BIS(ARYLMETHYLIDENE)ACETONE COMPOUND, ANTI-CANCER AGENT, CARCINOGENESIS-PREVENTIVE AGENT, INHIBITOR OF EXPRESSION OF Ki-Ras, ErbB2, c-Myc AND CYCLINE D1, BETA-CATENIN-DEGRADING AGENT, AND p53 EXPRESSION ENHANCER SHIBATA, HIROYUKI (JP) 2010-06-17 US claimed
US-8178727-B2 Bis(arylmethylidene)acetone compound, anti-cancer agent, carcinogenesis-preventive agent, inhibitor of expression of Ki-Ras, ErbB2, c-Myc and Cycline D1, β-catenin-degrading agent, and p53 expression enhancer NATIONAL UNIVERSITY CORPORATION TOHOKU UNIVERSITY (JP) 2012-05-15 US disclosed
US-20100152493-A1 BIS(ARYLMETHYLIDENE)ACETONE COMPOUND, ANTI-CANCER AGENT, CARCINOGENESIS-PREVENTIVE AGENT, INHIBITOR OF EXPRESSION OF Ki-Ras, ErbB2, c-Myc AND CYCLINE D1, BETA-CATENIN-DEGRADING AGENT, AND p53 EXPRESSION ENHANCER SHIBATA, HIROYUKI (JP) 2010-06-17 US disclosed
US-20030008914-A1 PHARMACEUTICAL FORMULATIONS USEFUL TO TREAT INFLAMMATORY AND IMMUNE DISORDERS MILLENNIUM PHARMACEUTICALS, INC. 2003-01-09 US disclosed
US-20020177723-A1 Compounds and methods for the treatment of inflammatory and immune disorders LEUKOSITE, INC. 2002-11-28 US disclosed
US-6420392-B1 PAF RECEPTOR ANTAGONISTS AND/OR BY INHIBITING THE ENZYME 5-LIPOXYGENASE. MILLENNIUM PHARMACEUTICALS, INC. 2002-07-16 US disclosed
US-6294574-B1 THERAPY OF DISORDER CAUSED BY PLATELET ACTIVATION FACTOR BY TRANS-2-(5-N'-METHYL-N'-HYDROXYUREIDYLMETHYL)-3-METHOXY-4-P-CH LOROPHENYLTHIOETHOXPHENYL)-5-(3,4,5-TRIMETHOXPHENYL)TETRAHYDRO FURAN OR ITS SALT CYTOMED, INC. 2001-09-25 US disclosed
EP-1123095-A1 PHARMACEUTICAL FORMULATIONS USEFUL TO TREAT INFLAMMATORY AND IMMUNE DISORDERS Millennium Pharmaceuticals, Inc. (US) 2001-08-16 EP disclosed
EP-0650485-B1 2,5-DIARYL TETRAHYDRO-THIOPHENES, -FURANS AND ANALOGS FOR THE TREATMENT OF INFLAMMATORY AND IMMUNE DISORDERS CYTOMED INC (US) 2000-10-11 EP disclosed
WO-2000023071-A9 PHARMACEUTICAL FORMULATIONS USEFUL TO TREAT INFLAMMATORY AND IMMUNE DISORDERS LEUKOSITE INC (US) 2000-09-14 WO disclosed
WO-1995018610-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CARDIOVASCULAR, INFLAMMATORY AND IMMUNE DISORDERS CYTOMED, INC. (US) 1995-07-13 WO disclosed
EP-0650485-A1 2,5-DIARYL TETRAHYDRO-THIOPHENES, -FURANS AND ANALOGS FOR THE TREATMENT OF INFLAMMATORY AND IMMUNE DISORDERS CYTOMED, INC. (US) 1995-05-03 EP disclosed
US-5358938-A 2,5-Diaryl tetrahydrofurans, tetrahydrothiophenes, 1,3-cyclo-pentanes and pyrrolidines CYTOMED, INC. (US) 1994-10-25 US disclosed
WO-1994001430-A1 2,5-DIARYL TETRAHYDRO-THIOPHENES, -FURANS AND ANALOGS FOR THE TREATMENT OF INFLAMMATORY AND IMMUNE DISORDERS CYTOMED, INC. (US) 1994-01-20 WO disclosed
US-5114961-A 2,5-diaryl tetrahydrofurans and analogs thereof as PAF antagonists MERCK & CO., INC. (US) 1992-05-19 US disclosed
US-5010100-A Skeletal muscular disorders, hydertensive agents, cardiovascular disorders MERCK & CO. INC. (US) 1991-04-23 US disclosed
US-4996203-A Platelet-activating factor antagonists MERCK & CO., INC. (US) 1991-02-26 US disclosed
EP-0402150-A1 New 2,5-diaryl tetrahydrofurans and analogs therof as PAF antagonists MERCK & CO. INC. (US) 1990-12-12 EP disclosed
EP-0402151-A1 New 2, 5-diaryl tetrahydrofurans and analogs thereof as paf antagonists MERCK & CO. INC. (US) 1990-12-12 EP disclosed
US-4977146-A ANTICOAGULANT MERCK & CO., INC. (US) 1990-12-11 US 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 (3 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-20100152493-A1 BIS(ARYLMETHYLIDENE)ACETONE COMPOUND, ANTI-CANCER AGENT, CARCINOGENESIS-PREVENTIVE AGENT, INHIBITOR OF EXPRESSION OF Ki-Ras, ErbB2, c-Myc AND CYCLINE D1, BETA-CATENIN-DEGRADING AGENT, AND p53 EXPRESSION ENHANCER MYC, CCNE2, CCNE1 ALDH1A1 614/4885KDM4E 623/4885HPGD 1340/4885
US-20030008914-A1 PHARMACEUTICAL FORMULATIONS USEFUL TO TREAT INFLAMMATORY AND IMMUNE DISORDERS ALOX5, ALOX5AP, ALOX15 ALDH1A1 175/4885KDM4E 525/4885HPGD 95/4885
US-20020177723-A1 Compounds and methods for the treatment of inflammatory and immune disorders LTB4R2, LTC4S, LTB4R ALDH1A1 556/4885KDM4E 3525/4885HPGD 63/4885

“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.